Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.52 |
| ▸ | MIF | P14174 | 2/20 | 0.52 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.52 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.52 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.52 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.52 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.52 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.50 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.50 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL6335562 | 0.78 | HIF1A (0.56) | TDP1HIF1ACYP2A6MIFTRPA1 | |
| SCHEMBL721250 | 0.78 | HIF1A (0.56) | TDP1HIF1ACYP2A6MIFTRPA1 | |
| Hydrogen Peroxide SCHEMBL10839871 | 0.76 | TDP1 (0.71) | TDP1CYP2A6TSHRADRA1ASLC6A3 | |
| Hydrogen Peroxide SCHEMBL10839772 | 0.76 | TDP1 (0.71) | TDP1CYP2A6TSHRADRA1ASLC6A3 | |
| Nitrous Acid SCHEMBL4556970 | 0.76 | FFAR1 (0.56) | TDP1CYP2A6ADRA1ASLC6A3SMN1; SMN2 | |
| SCHEMBL10431399 | 0.75 | TDP1 (0.54) | TDP1HIF1ACYP2A6MIFTRPA1 | |
| SCHEMBL15999404 | 0.74 | HIF1A (0.52) | TDP1HIF1ACYP2A6MIFTRPA1 | |
| SCHEMBL1630522 | 0.74 | MIF (0.58) | TDP1HIF1ACYP2A6MIFTRPA1 | |
| SCHEMBL944031 | 0.74 | HIF1A (0.52) | TDP1HIF1ACYP2A6MIFTRPA1 | |
| SCHEMBL3948588 | 0.74 | SMN1; SMN2 (0.52) | TDP1HIF1ACYP2A6MIFTRPA1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| 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-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 |
| 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 |
| EP-0374097-A2 | Use of peptide isosteres as retroviral protease inhibitors | CIBA-GEIGY AG (CH) | 1990-06-20 | — | — | EP | disclosed |
| EP-0374098-A2 | Inhibitors of retroviral proteases | CIBA-GEIGY AG (CH) | 1990-06-20 | — | — | EP | 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-20020055509-A1 | Phenylalanine derivatives as alpha 4 integrin inhibitors | ITGB4, ITGA4, ITGB3 | TDP1 2901/4885HIF1A 1152/4885CYP2A6 3190/4885 |
| US-20020086882-A1 | Heteroaryl-beta-alanine derivatives as alpha 4 integrin inhibitors | ITGAL, ITGB4, ITGA4 | TDP1 4182/4885HIF1A 1507/4885CYP2A6 2651/4885 |
| US-20020028812-A1 | Phenylalanine derivatives | PAH, FPR1, VCAM1 | TDP1 1442/4885HIF1A 223/4885CYP2A6 905/4885 |
| US-20040127486-A1 | Phenylalanine derivatives as alpha 4 integrin inhibitors | ITGB4, ITGA4, ITGB3 | TDP1 2901/4885HIF1A 1152/4885CYP2A6 3190/4885 |
“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.