Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | BPTF | Q12830 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | IKBKB | O14920 | 1/20 | 0.32 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.32 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.31 |
| ▸ | HSP90AB1 | P08238 | 3/20 | 0.31 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.31 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.31 |
| ▸ | CASP6 | P55212 | 1/20 | 0.30 |
| ▸ | GFER | P55789 | 1/20 | 0.30 |
| ▸ | AURKA | O14965 | 1/20 | 0.30 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3264107 | 0.76 | HRH4 (0.41) | CYP1A2 | |
| SCHEMBL20608495 | 0.71 | CHRM4 (0.34) | CYP1A2P2RX7CHRM4 | |
| SCHEMBL20618233 | 0.70 | NOTUM (0.36) | NOTUMCYP1A2ALDH1A1P2RX7CHRM4 | |
| SCHEMBL18343220 | 0.69 | NOTUM (0.35) | NOTUMCYP1A2CHRM4BAZ2BAURKA | |
| SCHEMBL2923652 | 0.69 | CCNA2 (0.38) | NOTUMBAZ2BAURKACCNA2CDK2 | |
| SCHEMBL15189253 | 0.69 | CYP2C19 (0.35) | KDM4ECYP2C19 | |
| SCHEMBL13495928 | 0.68 | KDM4E (0.40) | KDM4ECYP1A2ALDH1A1HPGD | |
| SCHEMBL23253676 | 0.68 | CHRM4 (0.63) | NOTUMKDM4ECYP1A2ALDH1A1HPGD | |
| SCHEMBL3241010 | 0.68 | P2RX7 (0.34) | P2RX7HSP90AA1HSP90AB1 | |
| SCHEMBL1425313 | 0.66 | MAPT (0.38) | KDM4ECYP1A2ALDH1A1HPGDCYP2C19 |
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-2118111-B1 | 2-AMIN0-5, 7-DIHYDR0-6H- PYRROLO [3, 4-D] PYRIMIDINE DERIVATIVES AS HSP-90 INHIBITORS FOR TREATING CANCER | PFIZER (US) | 2011-03-23 | — | — | EP | disclosed |