Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.50 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.48 |
| ▸ | USP2 | O75604 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.47 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.47 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL13794824 | 0.82 | FFAR1 (0.47) | FFAR1 | |
| SCHEMBL4779293 | 0.81 | ABCB1 (0.62) | ABCB1ALDH1A1MEN1KMT2APARP14 | |
| SCHEMBL12894374 | 0.79 | FFAR1 (0.45) | FFAR1 | |
| SCHEMBL31172139 | 0.78 | MAOB (0.57) | ABCB1CYP3A4ALDH1A1TSHRPARP14 | |
| SCHEMBL17218347 | 0.77 | CYP1A2 (0.45) | ABCB1CYP1A2CYP3A4CYP2C19CLK4 | |
| SCHEMBL17218344 | 0.77 | CYP1A2 (0.45) | ABCB1CYP1A2CYP3A4CYP2C19CLK4 | |
| SCHEMBL1155092 | 0.77 | PARP10 (0.56) | ABCB1ALDH1A1MAPK1MEN1KMT2A | |
| SCHEMBL4198833 | 0.77 | AR (0.54) | ABCB1MEN1KMT2APARP14PARP10 | |
| SCHEMBL13462916 | 0.77 | ABCB1 (0.64) | ABCB1ALDH1A1MEN1KMT2APARP14 | |
| SCHEMBL23118 | 0.77 | ABCB1 (0.53) | ABCB1MAPK1PARP14PARP10BCHE |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6211234-B1 | BENZONITRILE COMPOUNDS WITH ETHER AND SULFIDE GROUPS WITH CARBOXY ACID | RHONE-POULENC RORER LIMITED (GB) | 2001-04-03 | — | — | US | disclosed |
| EP-0728128-B1 | SUBSTITUTED PHENYL COMPOUNDS | RHONE POULENC RORER LTD (GB) | 1998-09-16 | — | — | EP | disclosed |
| EP-0728128-A1 | SUBSTITUTED PHENYL COMPOUNDS | RHONE-POULENC RORER LIMITED (GB) | 1996-08-28 | — | — | EP | disclosed |
| WO-1995013262-A1 | SUBSTITUTED PHENYL COMPOUNDS | RHONE-POULENC RORER LIMITED (GB) | 1995-05-18 | — | — | WO | disclosed |