Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.58 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.58 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.58 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.58 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 6/20 | 0.44 |
| ▸ | NPC1 | O15118 | 5/20 | 0.44 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.41 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4032553 | 1.00 | CYP2C9 (0.58) | CYP2C9CYP2C19CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL3852793 | 0.78 | CA12 (0.42) | CYP2C9CYP2C19CA12CA9RAB9A | |
| SCHEMBL3852796 | 0.78 | CA12 (0.42) | CYP2C9CYP2C19CA12CA9RAB9A | |
| SCHEMBL27163520 | 0.74 | CYP2A6 (0.72) | CYP2C9CYP2C19CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL2121672 | 0.74 | CYP2A6 (1.00) | CYP2C9CYP2C19CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL2305968 | 0.74 | CYP2A6 (0.72) | CYP2C9CYP2C19CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL10162470 | 0.74 | CYP2A6 (0.72) | CYP2C9CYP2C19CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL22195036 | 0.73 | CYP2C9 (0.67) | CYP2C9CYP2C19CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL3852601 | 0.73 | NPC1 (0.38) | CA12RAB9ANPC1SMN1; SMN2TP53 | |
| SCHEMBL3852598 | 0.73 | NPC1 (0.38) | CA12RAB9ANPC1SMN1; SMN2TP53 |
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-1678169-B1 | 4-(PYRAZOL-3-YLAMINO)PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER | ASTRAZENECA AB (SE) | 2009-07-22 | — | — | EP | disclosed |