Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.36 |
| ▸ | HTR1D | P28221 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.35 |
| ▸ | CD44 | P16070 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11858483 | 0.85 | TAAR1 (0.40) | CYP2A6CYP1A2TSHRACHEALDH1A1 | |
| SCHEMBL8093986 | 0.85 | CYP2A6 (0.47) | CYP2A6CYP1A2TSHRACHEALDH1A1 | |
| SCHEMBL8095408 | 0.82 | CYP2A6 (0.45) | CYP2A6CYP1A2TSHRACHEALDH1A1 | |
| SCHEMBL8096178 | 0.82 | CYP2A6 (0.45) | CYP2A6CYP1A2TSHRACHEALDH1A1 | |
| SCHEMBL16974983 | 0.80 | TAAR1 (0.36) | CYP2A6CYP1A2ALDH1A1CA1CA2 | |
| SCHEMBL8097070 | 0.80 | CYP2A6 (0.43) | CYP2A6CYP1A2TSHRACHEALDH1A1 | |
| SCHEMBL8101082 | 0.80 | CYP2A6 (0.43) | CYP2A6CYP1A2TSHRACHEALDH1A1 | |
| SCHEMBL8087584 | 0.80 | CYP2A6 (0.43) | CYP2A6CYP1A2TSHRACHEALDH1A1 | |
| SCHEMBL8093240 | 0.80 | CYP2A6 (0.43) | CYP2A6CYP1A2TSHRACHEALDH1A1 | |
| SCHEMBL8096579 | 0.80 | CYP2A6 (0.43) | CYP2A6CYP1A2TSHRACHEALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3962357-A | FROM SUBSTITUTED ETHYLTOLUENE, CONTINUOUS, SINGLE STEP | ROHM AND HAAS COMPANY (US) | 1976-06-08 | — | — | US | claimed |
| EP-0072615-A1 | Substituted imidazole derivatives and their preparation and use | Farmos Group Ltd. (FI) | 1983-02-23 | — | — | EP | disclosed |
| US-3962357-A | FROM SUBSTITUTED ETHYLTOLUENE, CONTINUOUS, SINGLE STEP | ROHM AND HAAS COMPANY (US) | 1976-06-08 | — | — | US | disclosed |