Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 2/20 | 1.00 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 1.00 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.45 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CRHBP | P24387 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10900625 | 0.84 | HSP90AA1 (0.71) | HSP90AA1HSP90AB1KDM4EHSD17B10ALDH1A1 | |
| SCHEMBL5367782 | 0.83 | HSP90AA1 (0.71) | HSP90AA1HSP90AB1KDM4EHSD17B10ALDH1A1 | |
| SCHEMBL15429553 | 0.80 | HSP90AA1 (0.67) | HSP90AA1HSP90AB1KDM4EHSD17B10NUDT1 | |
| SCHEMBL18299043 | 0.78 | HSP90AA1 (0.64) | HSP90AA1HSP90AB1KDM4EHSD17B10ALDH1A1 | |
| SCHEMBL5788589 | 0.77 | HSP90AA1 (0.63) | HSP90AA1HSP90AB1KDM4EHSD17B10ALDH1A1 | |
| SCHEMBL14927263 | 0.77 | HSP90AA1 (0.63) | HSP90AA1HSP90AB1KDM4EHSD17B10ALDH1A1 | |
| SCHEMBL15399178 | 0.77 | HSP90AA1 (0.62) | HSP90AA1HSP90AB1HSD17B10GRM4ATM | |
| Ammonia Solution, Strong SCHEMBL15795498 | 0.76 | HSP90AA1 (0.61) | HSP90AA1HSP90AB1KDM4EHSD17B10ALDH1A1 | |
| SCHEMBL14930775 | 0.76 | HSP90AA1 (0.61) | HSP90AA1HSP90AB1KDM4EHSD17B10ALDH1A1 | |
| SCHEMBL151114 | 0.75 | — | — |
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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022083657-A1 | SUBSTITUTED BENZO OR PYRIDOPYRIMIDINE AMINE INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF | 苏州泽璟生物制药股份有限公司 | 2022-04-28 | — | — | WO | disclosed |
| EP-2688870-B1 | HETEROCYCLIC AMINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2017-02-01 | — | — | EP | disclosed |
| CN-103443074-B | Heterocyclic amine derivative | HOFFMAN-LA ROCHE LTD. (CH) | 2016-04-13 | — | — | CN | disclosed |
| US-8802673-B2 | Heterocyclic amine derivatives | Hoffmann-La Roche Inc (US) | 2014-08-12 | — | — | US | disclosed |
| EP-2688870-A1 | HETEROCYCLIC AMINE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2014-01-29 | — | — | EP | disclosed |
| CN-103443074-A | Heterocyclic amine derivatives | HOFFMANN LA ROCHE | 2013-12-11 | — | — | CN | disclosed |
| US-20120245172-A1 | HETEROCYCLIC AMINE DERIVATIVES | HOFFMANN-LA ROCHE INC. | 2012-09-27 | — | — | US | disclosed |
| WO-2012126922-A1 | HETEROCYCLIC AMINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-09-27 | — | — | WO | 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 |
| CN-1109675-C | Aryl pyrimidine derivatives | HOFFMANN LA ROCHE (CH) | 2003-05-28 | — | — | CN | 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 |
| CN-1223641-A | Aryl pyrimidine derivatives | HOFFMANN LA ROCHE (CH) | 1999-07-21 | — | — | CN | 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 (4 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-20120245172-A1 | HETEROCYCLIC AMINE DERIVATIVES | TAAR1, TAAR5, MTNR1A | HSP90AA1 869/4885HSP90AB1 807/4885KDM4E 2692/4885 |
| US-20020055509-A1 | Phenylalanine derivatives as alpha 4 integrin inhibitors | ITGB4, ITGA4, ITGB3 | HSP90AA1 3091/4885HSP90AB1 2646/4885KDM4E 469/4885 |
| US-20020086882-A1 | Heteroaryl-beta-alanine derivatives as alpha 4 integrin inhibitors | ITGAL, ITGB4, ITGA4 | HSP90AA1 896/4885HSP90AB1 707/4885KDM4E 2953/4885 |
| US-20020028812-A1 | Phenylalanine derivatives | PAH, FPR1, VCAM1 | HSP90AA1 2061/4885HSP90AB1 1957/4885KDM4E 1423/4885 |
“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.