Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | PNMT | P11086 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | LMNA | P02545 | 5/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7721706 | 1.00 | CYP1A2 (0.44) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL7721704 | 1.00 | CYP1A2 (0.44) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL7725700 | 0.87 | CYP1A2 (0.45) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL6450047 | 0.85 | CYP1A2 (0.41) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL6450056 | 0.85 | CYP1A2 (0.41) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL6450051 | 0.85 | CYP1A2 (0.41) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL5272069 | 0.82 | CYP1A2 (0.41) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL6442670 | 0.82 | GAA (0.41) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL6442668 | 0.82 | GAA (0.41) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL5272065 | 0.82 | CYP1A2 (0.41) | CYP1A2CYP3A4CYP2D6NFKB1PNMT |
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-6403832-B1 | MIXING ACID WITH AMINE, PRECIPITATING SALT, AND FILTERING; GOOD OPTICAL PURITY | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2002-06-11 | — | — | US | disclosed |