Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 4/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.37 |
| ▸ | ATR | Q13535 | 1/20 | 0.37 |
| ▸ | GFER | P55789 | 2/20 | 0.36 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 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 | |
|---|---|---|---|---|
| SCHEMBL29955035 | 0.81 | CYP17A1 (0.38) | LCKCA1CA12CA9CYP17A1 | |
| SCHEMBL7432621 | 0.81 | ATR (0.41) | CA1KDM4ELMNACYP17A1ATR | |
| SCHEMBL16770460 | 0.81 | ATR (0.38) | CA1KDM4ELMNACYP17A1ATR | |
| SCHEMBL19026780 | 0.80 | RAB9A (0.36) | CA1CYP17A1ATRCA2 | |
| SCHEMBL18138246 | 0.78 | PRMT1 (0.41) | LMNACYP17A1ATRALDH1A1 | |
| SCHEMBL27164185 | 0.78 | CYP17A1 (0.36) | CA1KDM4ELMNACYP17A1ATR | |
| SCHEMBL4015102 | 0.77 | BRD9 (0.39) | LCKCA1CYP17A1ATRBRD9 | |
| SCHEMBL20555276 | 0.74 | GSK3B (0.39) | LCKCA1CA12CA9CYP17A1 | |
| SCHEMBL15264820 | 0.73 | ATR (0.48) | CA1CYP17A1ATRCA2 | |
| SCHEMBL22621090 | 0.72 | LCK (0.46) | LCKCA1CA12CA9CYP17A1 |
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-108884050-A | Tetrahydroisoquinoline derivatives | UCB生物制药私人有限公司 | 2018-11-23 | — | — | CN | disclosed |