Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 4/20 | 0.47 |
| ▸ | ITGA4 | P13612 | 4/20 | 0.47 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.47 |
| ▸ | ADAMTS5 | Q9UNA0 | 3/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.46 |
| ▸ | MMP1 | P03956 | 1/20 | 0.45 |
| ▸ | MMP9 | P14780 | 1/20 | 0.45 |
| ▸ | MMP13 | P45452 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 2/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | PTPN22 | Q9Y2R2 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MME | P08473 | 1/20 | 0.42 |
| ▸ | ACE | P12821 | 1/20 | 0.42 |
| ▸ | CPA1 | P15085 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5926499 | 1.00 | ITGB1 (0.47) | ITGB1ITGA4ITGB7ADAMTS5MMP2 | |
| SCHEMBL5926531 | 0.95 | ITGB1 (0.51) | ITGB1ITGA4ITGB7ADAMTS5MMP2 | |
| SCHEMBL5926611 | 0.92 | MMP1 (0.51) | ITGB1ITGA4ITGB7ADAMTS5MMP2 | |
| SCHEMBL5926506 | 0.89 | CYP26A1 (0.46) | MMP1MMP9MMP13CNR2CNR1 | |
| SCHEMBL5926711 | 0.88 | ITGB1 (0.50) | ITGB1ITGA4ITGB7ADAMTS5MMP2 | |
| SCHEMBL8337414 | 0.86 | ITGB1 (0.44) | ITGB1ITGA4ITGB7ADAMTS5MMP2 | |
| SCHEMBL5926537 | 0.85 | CTSA (0.46) | MMP1MMP9MMP13PTPN22KDM4E | |
| SCHEMBL5927464 | 0.85 | ITGB1 (0.49) | ITGB1ITGA4ITGB7ADAMTS5MMP2 | |
| SCHEMBL5927227 | 0.84 | ITGB1 (0.44) | ITGB1ITGA4ITGB7ADAMTS5MMP2 | |
| SCHEMBL5927175 | 0.84 | ITGB1 (0.47) | ITGB1ITGA4ITGB7ADAMTS5MMP2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004014844-A2 | ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION | TRANSTECH PHARMA, INC. (US) | 2004-02-19 | — | — | WO | disclosed |