Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | CASP7 | P55210 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3810150 | 0.87 | CYP1A2 (0.34) | CYP2A6TSHRCYP1A2TDP1HPGD | |
| SCHEMBL239122 | 0.80 | CYP2A6 (0.37) | CYP2A6TSHRCYP1A2TDP1CYP3A4 | |
| SCHEMBL7622283 | 0.79 | CYP2A6 (0.41) | CYP2A6TSHRCYP1A2TDP1HPGD | |
| SCHEMBL8408011 | 0.78 | TSHR (0.46) | CYP2A6TSHRCYP1A2TDP1CYP3A4 | |
| SCHEMBL3249728 | 0.74 | ALDH1A1 (0.34) | CYP2A6TSHRCYP1A2TDP1CYP3A4 | |
| SCHEMBL321122 | 0.74 | TDP1 (0.39) | CYP2A6TSHRCYP1A2TDP1CYP3A4 | |
| SCHEMBL27482644 | 0.74 | ALDH1A1 (0.40) | CYP2A6TSHRCYP1A2TDP1CYP3A4 | |
| SCHEMBL2102041 | 0.73 | CYP2A6 (0.38) | CYP2A6TSHRCYP1A2TDP1CYP3A4 | |
| SCHEMBL79020 | 0.72 | ALDH1A1 (0.35) | CYP2A6TSHRTDP1RAB9AHSD17B10 | |
| SCHEMBL65563 | 0.72 | CYP2A6 (0.37) | CYP2A6TSHRCYP1A2TDP1CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1147079-A2 | BETA-PHENYLALANINE DERIVATIVES AS INTEGRIN ANTAGONISTS | Bayer Aktiengesellschaft (DE) | 2001-10-24 | — | — | EP | claimed |
| WO-2000041469-A2 | β-PHENYLALANINE DERIVATIVES AS INTEGRIN ANTAGONISTS | BAYER AKTIENGESELLSCHAFT (DE) | 2000-07-20 | — | — | WO | claimed |