Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.52 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.52 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.52 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.52 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.51 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.49 |
| ▸ | GPR183 | P32249 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | NAMPT | P43490 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7828410 | 0.97 | ALDH1A1 (0.55) | ALDH1A1PDK1PDK2PDK3PDK4 | |
| SCHEMBL7380773 | 0.88 | ALDH1A1 (0.52) | ALDH1A1PDK1PDK2PDK3PDK4 | |
| Ethylene SCHEMBL8379318 | 0.84 | GSK3B (0.40) | ALDH1A1PDK1PDK2PDK3PDK4 | |
| Ethylene SCHEMBL8378452 | 0.84 | HPGD (0.44) | ALDH1A1EPHX2MAPTL3MBTL1HPGD | |
| SCHEMBL24120195 | 0.83 | HPGD (0.61) | ALDH1A1L3MBTL1HPGDSMN1; SMN2TSHR | |
| SCHEMBL8137913 | 0.82 | CA1 (0.41) | ALDH1A1PDK1PDK2PDK3PDK4 | |
| SCHEMBL31387922 | 0.82 | HPGD (0.68) | ALDH1A1PDK1PDK2PDK3PDK4 | |
| SCHEMBL31387924 | 0.82 | HPGD (0.68) | ALDH1A1PDK1PDK2PDK3PDK4 | |
| SCHEMBL3633068 | 0.80 | HPGD (0.71) | ALDH1A1PDK1PDK2PDK3PDK4 | |
| Ethylene SCHEMBL8381019 | 0.80 | MTHFD2 (0.51) | ALDH1A1HPGDSMN1; SMN2CA1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6303613-B1 | AS NITRIC OXIDE SYNTHASE INHIBITOR USEFUL IN THERAPY OR PROPHYLAXIS OF INFLAMMATORY DISEASE AND PAIN | ASTRAZENECA AB (SE) | 2001-10-16 | — | — | US | disclosed |
| EP-0973772-A1 | COMPOUNDS | Astra Pharmaceuticals Limited (GB) | 2000-01-26 | — | — | EP | disclosed |
| US-5883102-A | Pharmaceutically active compounds | ASTRA PHARMACEUTICALS LIMITED (GB) | 1999-03-16 | — | — | US | disclosed |
| WO-1998045294-A1 | COMPOUNDS | ASTRA PHARMACEUTICALS LTD. (GB) | 1998-10-15 | — | — | WO | disclosed |
| EP-0858451-A1 | PHARMACEUTICALLY ACTIVE QUINAZOLINE COMPOUNDS | Astra Pharmaceuticals Limited (GB) | 1998-08-19 | — | — | EP | disclosed |
| WO-1997014686-A1 | PHARMACEUTICALLY ACTIVE QUINAZOLINE COMPOUNDS | ASTRA PHARMACEUTICALS LIMITED (GB) | 1997-04-24 | — | — | WO | disclosed |