Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | TPMT | P51580 | 1/20 | 0.44 |
| ▸ | AHR | P35869 | 1/20 | 0.37 |
| ▸ | RXRA | P19793 | 1/20 | 0.36 |
| ▸ | RXRB | P28702 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5750483 | 0.80 | KDM4E (0.50) | TPMTAHRTSHRCYP2C9 | |
| SCHEMBL11246694 | 0.79 | CYP1A2 (0.55) | TP53HTTEGFRCYP1A2CYP2C9 | |
| SCHEMBL10744557 | 0.78 | AKR1C3 (0.55) | TPMTCYP2C9 | |
| SCHEMBL10744558 | 0.78 | AKR1C3 (0.55) | TPMTCYP2C9 | |
| SCHEMBL5597268 | 0.77 | TP53 (0.61) | TP53TSHRHTTCYP1A2CYP2C9 | |
| SCHEMBL5752330 | 0.77 | PTGS1 (0.41) | TPMTAHRTSHRCYP1A2CYP2C9 | |
| SCHEMBL18228738 | 0.74 | KDM4E (0.56) | EGFR | |
| SCHEMBL18228739 | 0.74 | KDM4E (0.56) | EGFR | |
| SCHEMBL2674745 | 0.72 | TP53 (0.74) | TP53HTT | |
| SCHEMBL5755286 | 0.71 | ALDH1A1 (0.38) | TPMT |
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-2003059872-A1 | AVB3 AND AVB5 INTEGRIN ANTAGONISTS AND METHODS OF TREATING DISEASES OR CONDITIONS ASSOCIATED WITH AVB3 AND AVB5 INTEGRINS | BAYER PHARMACEUTICALS CORPORATION (US) | 2003-07-24 | — | — | WO | disclosed |