Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | HPGD | P15428 | 4/20 | 0.48 |
| ▸ | CA12 | O43570 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | CA3 | P07451 | 1/20 | 0.48 |
| ▸ | CA6 | P23280 | 1/20 | 0.48 |
| ▸ | CA5A | P35218 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.48 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.48 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.48 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 3/20 | 0.46 |
| ▸ | APP | P05067 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1287525 | 0.80 | CYP2A6 (0.53) | CYP2A6CA2KDM4EALDH1A1HPGD | |
| SCHEMBL13076441 | 0.79 | CYP2A6 (0.51) | CYP2A6CA2KDM4EALDH1A1HPGD | |
| SCHEMBL1450985 | 0.79 | CYP2A6 (0.51) | CYP2A6CA2KDM4EALDH1A1HPGD | |
| SCHEMBL6871528 | 0.79 | CA2 (0.54) | CYP2A6CA2KDM4EALDH1A1HPGD | |
| SCHEMBL119314 | 0.79 | CYP2A6 (0.51) | CYP2A6CA2KDM4EALDH1A1HPGD | |
| SCHEMBL119001 | 0.79 | CYP2A6 (0.51) | CYP2A6CA2KDM4EALDH1A1HPGD | |
| SCHEMBL1287554 | 0.78 | CYP2A6 (0.51) | CYP2A6CA2KDM4EALDH1A1HPGD | |
| SCHEMBL3902827 | 0.77 | KDM4E (0.57) | CYP2A6CA2KDM4EALDH1A1HPGD | |
| SCHEMBL28093784 | 0.76 | CYP2A6 (0.49) | CYP2A6CA2KDM4EALDH1A1HPGD | |
| SCHEMBL16623287 | 0.75 | SLC22A12 (0.40) | CYP2A6KDM4EALDH1A1HPGDMAOB |
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-2857018-A1 | Treatment or prophylaxis of proliferative conditions | University Court of The University of Dundee (GB) | 2015-04-08 | — | — | EP | disclosed |