Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | METAP1 | P53582 | 1/20 | 0.59 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.44 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.44 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.44 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.44 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.44 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.44 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.43 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.43 |
| ▸ | CCR6 | P51684 | 2/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.42 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.42 |
| ▸ | CTSK | P43235 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4775854 | 0.89 | METAP1 (0.47) | METAP1NPC1RAB9AALDH1A1CYP2A6 | |
| SCHEMBL2238098 | 0.79 | PTGDR (0.53) | METAP1NPC1RAB9AALDH1A1CYP2A6 | |
| SCHEMBL2240945 | 0.79 | GBA1 (0.54) | NPC1RAB9AALDH1A1CYP2A6CYP3A4 | |
| SCHEMBL2237320 | 0.77 | HIF1A (0.47) | NPC1RAB9AALDH1A1CYP2A6CYP3A4 | |
| SCHEMBL4771527 | 0.76 | CYP3A4 (0.55) | NPC1RAB9AALDH1A1CYP2A6CYP3A4 | |
| SCHEMBL2239929 | 0.76 | CYP3A4 (0.65) | NPC1ALDH1A1CYP2A6CYP3A4CYP2C9 | |
| SCHEMBL4775842 | 0.76 | CYP3A4 (0.60) | ALDH1A1CYP2A6CYP3A4CYP2C9SLC2A1 | |
| SCHEMBL4773622 | 0.76 | CYP2A6 (0.46) | NPC1RAB9AALDH1A1CYP2A6CYP3A4 | |
| SCHEMBL2239971 | 0.76 | SMN1; SMN2 (0.53) | NPC1RAB9AALDH1A1CYP2A6CYP3A4 | |
| SCHEMBL4476417 | 0.76 | KMT2A (0.54) | METAP1NPC1RAB9AALDH1A1CCR6 |
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-1878733-A1 | Pyrimidine derivatives as ALK-5 inhibitors | Novartis AG (CH) | 2008-01-16 | — | — | EP | disclosed |