Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA3 | P07451 | 2/20 | 0.36 |
| ▸ | CA6 | P23280 | 2/20 | 0.36 |
| ▸ | CA5A | P35218 | 2/20 | 0.36 |
| ▸ | CA7 | P43166 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | TUBB4A | P04350 | 4/20 | 0.34 |
| ▸ | TUBB | P07437 | 4/20 | 0.34 |
| ▸ | TUBA3C | P0DPH7 | 4/20 | 0.34 |
| ▸ | TUBA1B | P68363 | 4/20 | 0.34 |
| ▸ | TUBA4A | P68366 | 4/20 | 0.34 |
| ▸ | TUBB4B | P68371 | 4/20 | 0.34 |
| ▸ | TUBB3 | Q13509 | 4/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5144913 | 0.75 | CYP2A6 (0.50) | PTGS1AKR1C3AKR1C2NPC1RAB9A | |
| SCHEMBL15564239 | 0.74 | CYP2A6 (0.38) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL358966 | 0.73 | CYP11B1 (0.39) | PTGS1AKR1C3AKR1C2CA2CA12 | |
| SCHEMBL2666094 | 0.71 | PTGS1 (0.62) | PTGS1AKR1C3AKR1C2MAPTNPC1 | |
| SCHEMBL27627454 | 0.70 | CYP11B2 (0.45) | MAPTNPC1CYP11B1CYP11B2KDM4E | |
| SCHEMBL5678180 | 0.69 | PDE4A (0.59) | PTGS1AKR1C3AKR1C2CA2MAPT | |
| SCHEMBL64917 | 0.69 | CYP1A2 (0.40) | CA2CA12CA7CA9CA14 | |
| SCHEMBL5227738 | 0.69 | CYP1A2 (0.40) | CA2CA12CA7CA9CA14 | |
| SCHEMBL29749150 | 0.69 | CA2 (0.54) | CA2CA12CA3CA6CA5A | |
| SCHEMBL1206769 | 0.69 | CA2 (0.54) | CA2CA12CA3CA6CA5A |
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-0938488-B1 | PHOSPHINE LIGANDS | OXFORD ASYMMETRY INTERNAT PLC (GB) | 2002-01-02 | — | — | EP | disclosed |