Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | PNMT | P11086 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | IDO1 | P14902 | 2/20 | 0.32 |
| ▸ | TDO2 | P48775 | 2/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.31 |
| ▸ | IDO2 | Q6ZQW0 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3376910 | 0.82 | CYP1A2 (0.39) | CYP1A2CYP3A4LMNAALDH1A1TSHR | |
| SCHEMBL22791943 | 0.79 | CYP1A2 (0.47) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL11499495 | 0.78 | CYP1A2 (0.56) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL9677445 | 0.77 | TSHR (0.47) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL222199 | 0.76 | — | — | |
| SCHEMBL16961199 | 0.76 | CYP1A2 (0.44) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL20275286 | 0.76 | CYP1A2 (0.44) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL6741747 | 0.76 | CYP1A2 (0.44) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL29134976 | 0.76 | MEN1 (0.38) | CYP1A2CYP3A4ALDH1A1CYP2A6TSHR | |
| SCHEMBL5185360 | 0.75 | ALDH1A1 (0.34) | CYP1A2ALDH1A1CYP2C19CYP2C9IDO1 |
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-0999999-B1 | METHOD FOR PREPARING SUBSTITUTED BENZYL BROMIDES | BASF AG (DE) | 2003-05-28 | — | — | EP | disclosed |