Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | FDPS | P14324 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 5/20 | 0.37 |
| ▸ | TTR | P02766 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 4/20 | 0.34 |
| ▸ | BCHE | P06276 | 3/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13582005 | 0.90 | CYP4F2 (0.36) | CA2CA9ESR1 | |
| SCHEMBL13582003 | 0.90 | CYP4F2 (0.36) | CA2CA9ESR1 | |
| SCHEMBL2231437 | 0.84 | CA12 (0.38) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2298336 | 0.82 | ESR1 (0.36) | ESR1BACE1 | |
| SCHEMBL2232838 | 0.80 | CA12 (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2298330 | 0.78 | MAPK14 (0.34) | — | |
| SCHEMBL2235396 | 0.75 | GPR183 (0.45) | ACHE | |
| SCHEMBL2235620 | 0.75 | GPR183 (0.41) | MAOBACHEBCHE | |
| SCHEMBL2235390 | 0.75 | GPR183 (0.45) | ACHE | |
| Hydrochloric Acid SCHEMBL13583010 | 0.74 | GPR183 (0.45) | ACHE |
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 |