Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 9/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.45 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.44 |
| ▸ | TDO2 | P48775 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2959362 | 0.89 | CYP2A6 (0.50) | CYP2A6ALDH1A1CYP3A4CYP1A2TP53 | |
| SCHEMBL1203598 | 0.81 | ALDH1A1 (0.50) | CYP2A6ALDH1A1KDM4EHPGDHTT | |
| SCHEMBL30026143 | 0.78 | CYP2A6 (0.70) | CYP2A6ALDH1A1CYP3A4CYP1A2TP53 | |
| SCHEMBL20541087 | 0.78 | CYP2A6 (0.70) | CYP2A6ALDH1A1CYP3A4CYP1A2TP53 | |
| SCHEMBL2592406 | 0.78 | CYP2A6 (0.57) | CYP2A6ALDH1A1CYP3A4CYP1A2TP53 | |
| SCHEMBL31635952 | 0.78 | PTGS2 (0.64) | CYP2A6ALDH1A1CYP3A4CYP1A2TP53 | |
| SCHEMBL30032 | 0.78 | PTGS2 (0.64) | CYP2A6ALDH1A1CYP3A4CYP1A2TP53 | |
| SCHEMBL28181896 | 0.78 | PTGS2 (0.64) | CYP2A6ALDH1A1CYP3A4CYP1A2TP53 | |
| SCHEMBL2841879 | 0.78 | TP53 (0.65) | CYP2A6ALDH1A1CYP3A4CYP1A2TP53 | |
| SCHEMBL31232584 | 0.78 | TP53 (0.65) | CYP2A6ALDH1A1CYP3A4CYP1A2TP53 |
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 |
|---|---|---|---|---|---|---|---|
| US-4550166-A | SEDATIVES, TRANQUILIZERS, TENSION REDUCERS | AMERICAN CYANAMID COMPANY (US) | 1985-10-29 | — | — | US | disclosed |