Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 13/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.67 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.67 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.67 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.67 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.67 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.67 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.67 |
| ▸ | MAPT | P10636 | 12/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.61 |
| ▸ | HPGD | P15428 | 2/20 | 0.59 |
| ▸ | GAA | P10253 | 2/20 | 0.58 |
| ▸ | RAB9A | P51151 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | F2 | P00734 | 2/20 | 0.57 |
| ▸ | HTT | P42858 | 2/20 | 0.57 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.55 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL14045319 | 0.84 | ROCK2 (0.77) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL27692289 | 0.83 | ALDH1A1 (0.61) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL24797472 | 0.80 | ALDH1A1 (1.00) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1548213 | 0.79 | ALDH1A1 (0.69) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL30725947 | 0.79 | ALDH1A1 (0.69) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4194552 | 0.78 | ALDH1A1 (0.62) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8774349 | 0.77 | ALDH1A1 (0.67) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL30026503 | 0.77 | ALDH1A1 (0.67) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5823003 | 0.77 | ALDH1A1 (0.77) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL22590423 | 0.77 | ALDH1A1 (0.61) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE37438-E1 | Acetamidine derivatives and their use as inhibitors for the nitric oxide synthase | GLAXO WELLCOME INC. | 2001-11-06 | — | — | US | disclosed |
| US-5866612-A | Acetamidine derivatives and their use as inhibitors for the nitric oxide synthase | GLAXO WELLCOME INC. (US) | 1999-02-02 | — | — | US | disclosed |
| EP-0799191-A1 | ACETAMIDINE DERIVATIVES AND THEIR USE AS INHIBITORS FOR THE NITRIC OXIDE SYNTHASE | THE WELLCOME FOUNDATION LIMITED (GB) | 1997-10-08 | — | — | EP | disclosed |
| WO-1996019440-A1 | ACETAMIDINE DERIVATIVES AND THEIR USE AS INHIBITORS FOR THE NITRIC OXIDE SYNTHASE | THE WELLCOME FOUNDATION LIMITED (GB) | 1996-06-27 | — | — | WO | disclosed |