Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 13/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 11/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | QPCT | Q16769 | 1/20 | 0.39 |
| ▸ | QPCTL | Q9NXS2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.37 |
| ▸ | GABRR2 | P28476 | 1/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.37 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.37 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.37 |
| ▸ | FKBP5 | Q13451 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19630396 | 0.72 | HRH4 (0.35) | CYP17A1CYP3A4CYP19A1QPCTQPCTL | |
| SCHEMBL12261150 | 0.71 | HRH4 (0.39) | CYP17A1CYP3A4CYP19A1ALDH1A1HRH4 | |
| SCHEMBL27617871 | 0.70 | — | — | |
| Diketopiperazine SCHEMBL28290092 | 0.68 | CYP17A1 (0.36) | CYP17A1CYP3A4CYP19A1ALDH1A1HRH4 | |
| SCHEMBL21249866 | 0.67 | ALDH1A1 (0.39) | CYP17A1CYP3A4CYP19A1ALDH1A1HRH4 | |
| SCHEMBL27766969 | 0.65 | TDP1 (0.38) | CYP17A1CYP3A4CYP19A1ALDH1A1HRH4 | |
| SCHEMBL12629148 | 0.65 | HRH4 (0.44) | CYP17A1CYP3A4CYP19A1ALDH1A1HRH4 | |
| SCHEMBL8908834 | 0.65 | TP53 (0.43) | CYP3A4CYP19A1ALDH1A1GABRA1TSHR | |
| SCHEMBL26068453 | 0.65 | ALDH1A1 (0.43) | CYP17A1CYP3A4CYP19A1ALDH1A1HRH4 | |
| SCHEMBL14415970 | 0.65 | HRH4 (0.44) | ALDH1A1TSHRHRH4FKBP5 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1631566-A1 | 2-ANILINO-4-(IMIDAZOL-5-YL)-PYRIMIDINE DERIVATIVES AND THEIR USE AS CDK (CDK2) INHIBITORS | Astrazeneca AB (SE) | 2006-03-08 | — | — | EP | disclosed |
| WO-2004101549-A1 | 2-ANILINO-4-(IMIDAZOL-5-YL)-PYRIMIDINE DERIVATIVES AND THEIR USE AS CDK (CDK2) INHIBITORS | ASTRAZENECA AB (SE) | 2004-11-25 | — | — | WO | disclosed |