Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | CA7 | P43166 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | TTR | P02766 | 1/20 | 0.48 |
| ▸ | DPP4 | P27487 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 4/20 | 0.46 |
| ▸ | FDPS | P14324 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | MET | P08581 | 2/20 | 0.40 |
| ▸ | BCHE | P06276 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13582495 | 0.85 | ESR1 (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL13582500 | 0.85 | ESR1 (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2232047 | 0.84 | APP (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2232050 | 0.84 | APP (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2298327 | 0.80 | CA12 (0.38) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2231437 | 0.80 | CA12 (0.38) | CA12CA1CA2CA7CA9 | |
| SCHEMBL13582160 | 0.78 | ESR1 (0.38) | CA12CA1CA2CA7CA9 | |
| SCHEMBL13582158 | 0.78 | ESR1 (0.38) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2234037 | 0.77 | GPR183 (0.42) | — | |
| SCHEMBL2301371 | 0.77 | REN (0.41) | ESR1BCHE |
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-2011093524-A1 | DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2011-08-04 | — | — | WO | disclosed |