Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.45 |
| ▸ | NQO2 | P16083 | 2/20 | 0.44 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA7 | P43166 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5251188 | 0.78 | MAOA (0.42) | MAOANQO2ABCG2CYP19A1ALDH1A1 | |
| SCHEMBL21830342 | 0.78 | IDO1 (0.45) | NQO2CYP19A1ALDH1A1KDM4EHPGD | |
| SCHEMBL5251184 | 0.77 | MAOA (0.41) | MAOANQO2ABCG2CYP19A1ALDH1A1 | |
| SCHEMBL1193308 | 0.74 | KMT2A (0.52) | MAOAABCG2ALDH1A1KDM4EHPGD | |
| SCHEMBL1402514 | 0.74 | KMT2A (0.49) | MAOAABCG2ALDH1A1KDM4EGAA | |
| SCHEMBL28542076 | 0.73 | MAPT (0.57) | MAOAALDH1A1KDM4EHPGDCYP1A1 | |
| SCHEMBL1402450 | 0.72 | KMT2A (0.50) | MAOAABCG2ALDH1A1KDM4EHPGD | |
| SCHEMBL1402655 | 0.72 | MAOA (0.47) | MAOANQO2ABCG2ALDH1A1KDM4E | |
| SCHEMBL714182 | 0.71 | CA1 (0.58) | NQO2CYP19A1ALDH1A1KDM4EHPGD | |
| SCHEMBL21830399 | 0.71 | CYP2A6 (0.44) | ALDH1A1KDM4EHPGDGAAMAPT |
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-5629406-A | AMINO ACID DERIVATIVES | SANKYO COMPANY, LIMITED (JP) | 1997-05-13 | — | — | US | disclosed |
| EP-0587311-A1 | Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use | SANKYO COMPANY LIMITED (JP) | 1994-03-16 | — | — | EP | disclosed |