Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 2/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CRHBP | P24387 | 1/20 | 0.34 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.34 |
| ▸ | AKT1 | P31749 | 1/20 | 0.34 |
| ▸ | MTOR | P42345 | 1/20 | 0.34 |
| ▸ | ATR | Q13535 | 1/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | FLT3 | P36888 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 2/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.33 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.33 |
| ▸ | CDK2 | P24941 | 2/20 | 0.33 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.33 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2953119 | 0.80 | TTK (0.43) | HRH3CYP3A4FLT3ACVR1SMPD3 | |
| SCHEMBL2952940 | 0.77 | SMPD3 (0.41) | MAP4K4HRH3PIK3CDSMPD3 | |
| SCHEMBL2955719 | 0.77 | CTSS (0.37) | ATRCDK1CCNB1CCNE1CDK2 | |
| SCHEMBL2951937 | 0.73 | DHFR (0.45) | CRHBPCRHR2MTORPIK3CDCDK1 | |
| SCHEMBL2950069 | 0.73 | ADORA2A (0.49) | MAP4K4HRH3CYP1A2CDK1CCNB1 | |
| SCHEMBL2953061 | 0.69 | DHFR (0.42) | CYP2D6CRHBPCRHR2MTORCYP1A2 | |
| SCHEMBL2952950 | 0.69 | DHFR (0.43) | MTORFLT3 | |
| SCHEMBL2955288 | 0.69 | TLR7 (0.42) | PIK3CDCDK1CCNB1CCNE1CDK2 | |
| SCHEMBL2946049 | 0.68 | DHFR (0.42) | CDK1CCNB1CCNE1CDK2 | |
| SCHEMBL2952077 | 0.67 | INSR (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010111406-A2 | COMPOUNDS AND THERAPEUTIC USES THEREOF | MYRIAD PHARMACEUTICALS, INC. (US) | 2010-09-30 | — | — | WO | claimed |