Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 4/20 | 0.40 |
| ▸ | ITGA4 | P13612 | 4/20 | 0.40 |
| ▸ | ELANE | P08246 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | WNT3A | P56704 | 1/20 | 0.31 |
| ▸ | NPR3 | P17342 | 2/20 | 0.31 |
| ▸ | XDH | P47989 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.30 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2978080 | 0.90 | ITGB1 (0.45) | ITGB1ITGA4CYP3A4CYP2C9NPR3 | |
| SCHEMBL3836401 | 0.90 | ITGB1 (0.51) | ITGB1ITGA4CYP3A4CYP2C9 | |
| SCHEMBL6131688 | 0.89 | ITGB1 (0.44) | ITGB1ITGA4ELANEHDAC3HDAC1 | |
| SCHEMBL3836314 | 0.89 | ITGB1 (0.44) | ITGB1ITGA4ELANEHDAC3HDAC1 | |
| SCHEMBL2978337 | 0.81 | ITGB1 (0.58) | ITGB1ITGA4CYP3A4CYP2C9 | |
| SCHEMBL3884133 | 0.81 | ITGB1 (0.58) | ITGB1ITGA4CYP3A4CYP2C9 | |
| SCHEMBL3836794 | 0.81 | ITGA4 (0.43) | ITGB1ITGA4ELANEHDAC3HDAC1 | |
| SCHEMBL3835544 | 0.81 | ITGB1 (0.51) | ITGB1ITGA4CYP3A4CYP2C9 | |
| Ucb-1184197 SCHEMBL6131680 | 0.81 | ITGB1 (0.47) | ITGB1ITGA4CYP3A4CYP2C9 | |
| Ucb-1184197 SCHEMBL3833843 | 0.81 | ITGB1 (0.47) | ITGB1ITGA4CYP3A4CYP2C9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7501437-B2 | Phenylalanine enamide derivatives | UCB PHARMA, S.A. (BE) | 2009-03-10 | — | — | US | disclosed |
| US-20070167483-A1 | 2-[(2-Isopropylsulfanyl-3-oxo-spiro[3.5]non-1-en-1-yl)amino]-3-[4-([2,7]naphthyridin-1-ylamino)phenyl]propanoic acid; compounds can inhibit the binding of integrins to their ligands and are of use in the prophylaxis and treatment of immuno or inflammatory disorders | UCB PHARMA S.A. (BE) | 2007-07-19 | — | — | US | disclosed |
| EP-1370531-B1 | PHENYLALANINE ENAMIDE DERIVATIVES POSSESSING A CYCLOBUTENE GROUP, FOR USE AS INTEGRIN INHIBITORS | CELLTECH R&D LTD (GB) | 2007-02-28 | — | — | 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 (1 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-20070167483-A1 | 2-[(2-Isopropylsulfanyl-3-oxo-spiro[3.5]non-1-en-1-yl)amino]-3-[4-([2,7]naphthyridin-1-ylamino)phenyl]propanoic acid; compounds can inhibit the binding of integrins to their ligands and are of use in the prophylaxis and treatment of immuno or inflammatory disorders | ITGB2, VCAM1, ITGB1 | ITGB1 3/4885ITGA4 40/4885ELANE 275/4885 |
“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.