Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.42 |
| ▸ | CA1 | P00915 | 4/20 | 0.42 |
| ▸ | CA9 | Q16790 | 4/20 | 0.42 |
| ▸ | PREP | P48147 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | APLNR | P35414 | 2/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30777883 | 0.78 | CA12 (0.44) | CA12CA1CA9PREPHSP90AA1 | |
| SCHEMBL26785502 | 0.78 | CA12 (0.44) | CA12CA1CA9PREPHSP90AA1 | |
| SCHEMBL2090369 | 0.76 | CA12 (0.49) | CA12CA1CA9PREPHSP90AA1 | |
| SCHEMBL24529065 | 0.74 | MAOB (0.48) | CA12CA1CA9PREPMAOA | |
| SCHEMBL4938350 | 0.73 | CA12 (0.54) | CA12CA1CA9PREP | |
| SCHEMBL29853608 | 0.73 | PREP (0.42) | CA12CA1CA9PREP | |
| SCHEMBL26781090 | 0.73 | PREP (0.42) | CA12CA1CA9PREP | |
| SCHEMBL5405281 | 0.72 | MAOB (0.50) | CA12CA1CA9PREPMAOA | |
| SCHEMBL26768663 | 0.72 | PREP (0.41) | CA12CA1CA9PREPHSP90AA1 | |
| SCHEMBL6113027 | 0.72 | MAOB (0.50) | CA12CA1CA9PREPMAOA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008107321-A1 | HETEROCYCLIC COMPOUNDS USED AS ANTI-NEOPLASIC AGENTS OR CELL PROLIFERATION INHIBITORS | CEREP (FR) | 2008-09-12 | — | — | WO | disclosed |