Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.59 |
| ▸ | MEN1 | O00255 | 4/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.59 |
| ▸ | MAOA | P21397 | 2/20 | 0.59 |
| ▸ | MAOB | P27338 | 1/20 | 0.59 |
| ▸ | POLB | P06746 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | LIPE | Q05469 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.45 |
| ▸ | HBB | P68871 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | LTA4H | P09960 | 3/20 | 0.45 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.44 |
| ▸ | APAF1 | O14727 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4059342 | 0.89 | KDM4E (0.69) | KDM4EMEN1KMT2AMAOAMAOB | |
| SCHEMBL20931746 | 0.84 | KDM4E (0.79) | KDM4EMEN1KMT2AMAOAMAOB | |
| SCHEMBL17488160 | 0.82 | MAOB (0.55) | KDM4EMEN1KMT2AMAOBPOLB | |
| SCHEMBL12386850 | 0.81 | KDM4E (0.58) | KDM4EMEN1KMT2APOLBRAB9A | |
| SCHEMBL8684262 | 0.81 | LIPE (0.51) | KDM4EMEN1KMT2APOLBRAB9A | |
| SCHEMBL24664854 | 0.81 | LIPE (0.48) | KDM4EMEN1KMT2APOLBRAB9A | |
| SCHEMBL7304855 | 0.81 | LIPE (0.48) | KDM4EMEN1KMT2APOLBRAB9A | |
| SCHEMBL5649724 | 0.81 | MAPK1 (0.56) | KDM4EMEN1KMT2ALIPETSHR | |
| SCHEMBL24270241 | 0.80 | KDM4E (0.60) | KDM4EMEN1KMT2AMAOAMAOB | |
| SCHEMBL3100106 | 0.79 | LIPE (0.46) | KDM4EMEN1KMT2ALIPEALDH1A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10065941-B2 | Aminotriazine derivative and pharmaceutical composition comprising the same | SHIONOGI & CO., LTD. (JP) | 2018-09-04 | — | — | US | disclosed |
| EP-3009432-B1 | AMINO-TRIAZINE DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING SAID DERIVATIVES | SHIONOGI & CO (JP) | 2018-04-25 | — | — | EP | disclosed |
| US-20170362199-A1 | AMINOTRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | SHIONOGI & CO., LTD. (JP) | 2017-12-21 | — | — | US | disclosed |
| US-9732060-B2 | Aminotriazine derivative and pharmaceutical composition comprising the same | SHIONOGI & CO., LTD. (JP) | 2017-08-15 | — | — | US | disclosed |
| US-20160115151-A1 | AMINOTRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | SHIONOGI & CO., LTD. (JP) | 2016-04-28 | — | — | US | disclosed |
| EP-3009432-A1 | AMINO-TRIAZINE DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING SAID DERIVATIVES | Shionogi & Co., Ltd. (JP) | 2016-04-20 | — | — | EP | disclosed |
| US-7291645-B2 | Phenylalanine derivatives as alpha 4 integrin inhibitors | ELAN PHARMACEUTICALS, INC. (US) | 2007-11-06 | — | — | US | disclosed |
| US-7015216-B2 | Heteroaryl-β-alanine derivatives as alpha 4 integrin inhibitors | ELAN PHARMACEUTICALS, INC. (US) | 2006-03-21 | — | — | US | disclosed |
| WO-2005037839-A1 | NORCANTHARIDIN DERIVATIVE COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF, COMPOSITIONS CONTAINING SAID COMPOUNDS AND THE USE THEREOF | ENTOMED (FR) | 2005-04-28 | — | — | WO | disclosed |
| US-20040127486-A1 | Phenylalanine derivatives as alpha 4 integrin inhibitors | ELAN PHARMACEUTICALS, INC. | 2004-07-01 | — | — | US | disclosed |
| US-6689781-B2 | TREATING AN INFLAMMATORY CONDITION IN A MAMMALIAN PATIENT WHICH CONDITION IS MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. | 2004-02-10 | — | — | US | disclosed |
| US-6677339-B2 | S-3-(4-(3,5-DICHLOROPYRID-4-YLCARBOXAMIDO)PHENYL)-2-(4,6-DIMET HOXY-1,3,5-TRIAZIN-2-YLAMINO)PROPANOIC ACID FOR EXAMPLE; INHIBIT BINDING OF ALPHA 4 INTEGRINS TO THEIR LIGANDS, FOR TREATING IMMUNE OR INFLAMMATORY DISORDERS | CELLTECH R & D LIMITED (GB) | 2004-01-13 | — | — | US | disclosed |
| US-20020086882-A1 | Heteroaryl-beta-alanine derivatives as alpha 4 integrin inhibitors | BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) | 2002-07-04 | — | — | US | disclosed |
| US-20020055509-A1 | Phenylalanine derivatives as alpha 4 integrin inhibitors | BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) | 2002-05-09 | — | — | US | disclosed |
| US-20020028812-A1 | Phenylalanine derivatives | CELLTECH CHIROSCIENCE LIMITED (GB) | 2002-03-07 | — | — | US | disclosed |
| US-6348463-B1 | Phenylalanine derivatives | CELLTECH THERAPEUTICS LIMITED (GB) | 2002-02-19 | — | — | US | disclosed |
| WO-2002008222-A2 | HETEROARYL-β-ALANINE DERIVATIVES AS ALPHA 4 INTEGRIN INHIBITORS | ELAN PHARMACEUTICALS, INC. (US) | 2002-01-31 | — | — | WO | disclosed |
| WO-2002008206-A1 | 3-AMINO-2-(4-AMINOCARBONYLOXY)PHENYL-PROPIONIC ACID DERIVATIVES AS ALPHA-4- INTEGRIN INHIBITORS | ELAN PHARMACEUTICALS, INC. (US) | 2002-01-31 | — | — | WO | disclosed |
| EP-1117657-A1 | PHENYLALANINE DERIVATIVES AS ALPHA 4 INTEGRIN INHIBITORS | CELLTECH THERAPEUTICS LIMITED (GB) | 2001-07-25 | — | — | EP | disclosed |
| WO-2000018759-A1 | PHENYLALANINE DERIVATIVES AS ALPHA 4 INTEGRIN INHIBITORS | CELLTECH THERAPEUTICS LIMITED (GB) | 2000-04-06 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20020055509-A1 | Phenylalanine derivatives as alpha 4 integrin inhibitors | ITGB4, ITGA4, ITGB3 | KDM4E 469/4885MEN1 3906/4885KMT2A 2387/4885 |
| US-20020086882-A1 | Heteroaryl-beta-alanine derivatives as alpha 4 integrin inhibitors | ITGAL, ITGB4, ITGA4 | KDM4E 2953/4885MEN1 3803/4885KMT2A 2842/4885 |
| US-20020028812-A1 | Phenylalanine derivatives | PAH, FPR1, VCAM1 | KDM4E 1423/4885MEN1 4095/4885KMT2A 1645/4885 |
| US-10065941-B2 | Aminotriazine derivative and pharmaceutical composition comprising the same | P2RX3, P2RX2, P2RX1 | KDM4E 2661/4885MEN1 4282/4885KMT2A 1719/4885 |
| US-20040127486-A1 | Phenylalanine derivatives as alpha 4 integrin inhibitors | ITGB4, ITGA4, ITGB3 | KDM4E 469/4885MEN1 3906/4885KMT2A 2387/4885 |
| US-20160115151-A1 | AMINOTRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | P2RX3, P2RX2, P2RX1 | KDM4E 2646/4885MEN1 4298/4885KMT2A 1709/4885 |
| US-20170362199-A1 | AMINOTRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | P2RX3, P2RX2, P2RX1 | KDM4E 2661/4885MEN1 4282/4885KMT2A 1719/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.