Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NQO1 | P15559 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 2/20 | 0.34 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL11674691 | 0.88 | CYP2A6 (0.38) | CYP2A6CYP1A2TSHRNQO1ALDH1A1 | |
| SCHEMBL8371731 | 0.86 | CYP1A2 (0.47) | CYP2A6CYP1A2TSHRALDH1A1HPGD | |
| SCHEMBL11512764 | 0.85 | CYP2A6 (0.35) | CYP2A6CYP1A2TSHRNQO1ALDH1A1 | |
| SCHEMBL29512148 | 0.81 | CYP1A2 (0.41) | CYP2A6CYP1A2TSHRNQO1ALDH1A1 | |
| SCHEMBL1538428 | 0.81 | CYP1A2 (0.41) | CYP2A6CYP1A2TSHRNQO1ALDH1A1 | |
| SCHEMBL11674694 | 0.76 | CYP2A6 (0.38) | CYP2A6CYP1A2TSHRNQO1ALDH1A1 | |
| SCHEMBL4928668 | 0.76 | ALDH1A1 (0.39) | CYP2A6CYP1A2TSHRNQO1ALDH1A1 | |
| SCHEMBL8376482 | 0.76 | BRD4 (0.40) | CYP2A6CYP1A2TSHRNQO1ALDH1A1 | |
| SCHEMBL797237 | 0.75 | NQO1 (0.46) | CYP2A6CYP1A2TSHRNQO1ALDH1A1 | |
| SCHEMBL28217742 | 0.74 | CYP1A2 (0.52) | CYP2A6CYP1A2TSHRNQO1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4133830-A | RECYCLING BY-PRODUCTS TO SUCCESSIVE RUNS TO IMPROVE YIELD | STAUFFER CHEMICAL COMPANY (US) | 1979-01-09 | — | — | US | disclosed |
| US-4000190-A | FROM DIALKYL OR DIARYL DISULFIDES, PHOSPHORUS, AND PHOSPHORUS TRIHALIDE | STAUFFER CHEMICAL COMPANY (US) | 1976-12-28 | — | — | US | disclosed |