Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | AURKA | O14965 | 1/20 | 0.46 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.46 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.43 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5670829 | 0.80 | TACR1 (0.55) | TACR1MEN1KMT2AHIF1AALDH1A1 | |
| SCHEMBL2341547 | 0.80 | TACR1 (0.59) | TACR1MEN1KMT2AHIF1AALDH1A1 | |
| SCHEMBL19373061 | 0.79 | TACR1 (0.51) | TACR1MEN1KMT2AAURKARPS6KB1 | |
| SCHEMBL5340479 | 0.79 | TACR1 (0.54) | TACR1MEN1KMT2AHIF1AALDH1A1 | |
| SCHEMBL15682662 | 0.78 | TACR1 (0.50) | TACR1MEN1KMT2AAURKARPS6KB1 | |
| SCHEMBL14672755 | 0.77 | TACR1 (0.60) | TACR1MEN1KMT2AALDH1A1HTT | |
| SCHEMBL6289037 | 0.77 | TACR1 (0.60) | TACR1MEN1KMT2AHIF1AALDH1A1 | |
| SCHEMBL6289038 | 0.77 | TACR1 (0.60) | TACR1MEN1KMT2AHIF1AALDH1A1 | |
| SCHEMBL13306937 | 0.77 | TACR1 (0.52) | TACR1MEN1KMT2AHIF1AALDH1A1 | |
| SCHEMBL14521466 | 0.76 | KMT2A (0.57) | TACR1MEN1KMT2AHIF1AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105849099-A | Polycyclic inhibitors of cyclin-dependent kinase 7 (CDK7) | 达纳-法伯癌症研究所股份有限公司 | 2016-08-10 | — | — | CN | disclosed |