Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | ERN1 | O75460 | 2/20 | 0.38 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | BCKDK | O14874 | 1/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11617762 | 0.86 | CYP2A6 (0.53) | MAPK1KMT2ARXFP1MEN1CYP2A6 | |
| SCHEMBL507807 | 0.79 | LSS (0.39) | MAPK1CYP2A6ERN1ALDH1A1ALOX5 | |
| SCHEMBL9565764 | 0.78 | ERN1 (0.49) | KMT2ACYP2A6CYP1A2ERN1MAPT | |
| SCHEMBL5848721 | 0.77 | CYP2A6 (0.52) | CYP2A6CYP1A2ERN1ALDH1A1MAPT | |
| SCHEMBL31092063 | 0.77 | CYP2A6 (0.52) | CYP2A6CYP1A2ERN1ALDH1A1MAPT | |
| SCHEMBL4744425 | 0.76 | CA12 (0.47) | KMT2AMEN1CYP1A2ERN1MAPT | |
| SCHEMBL694991 | 0.75 | KIF11 (0.44) | CYP1A2ALOX5 | |
| SCHEMBL8341333 | 0.75 | PIN1 (0.51) | KMT2AMEN1ERN1KDM4EALDH1A1 | |
| SCHEMBL10229467 | 0.75 | ALOX5 (0.35) | CYP2A6CYP1A2ERN1LMNAALDH1A1 | |
| SCHEMBL507351 | 0.75 | CSNK2A1 (0.50) | CYP2A6ERN1ALOX5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0526951-A1 | 3-Phenyl benzo b thiophenes as pesticidal compounds | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1993-02-10 | — | — | EP | disclosed |