Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 5/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | SLC26A4 | O43511 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2236662 | 0.87 | NR4A2 (0.48) | MAOAMAOBMAPTSMN1; SMN2NR4A2 | |
| SCHEMBL2236651 | 0.87 | NR4A2 (0.48) | MAOAMAOBMAPTSMN1; SMN2NR4A2 | |
| SCHEMBL13583139 | 0.80 | APP (0.43) | MAPTSMN1; SMN2KMT2AHPGDTHRB | |
| SCHEMBL13583137 | 0.80 | APP (0.43) | MAPTSMN1; SMN2KMT2AHPGDTHRB | |
| SCHEMBL2233169 | 0.79 | KMT2A (0.47) | MAOAMAOBMAPTSMN1; SMN2NR4A2 | |
| SCHEMBL13581866 | 0.79 | RECQL (0.48) | CA2CA9MAOAMAOBMAPT | |
| SCHEMBL13581865 | 0.79 | RECQL (0.48) | CA2CA9MAOAMAOBMAPT | |
| SCHEMBL3147310 | 0.78 | CA12 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL3147305 | 0.78 | CA12 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2235535 | 0.78 | SMN1; SMN2 (0.38) | MAOAMAOBMAPTSMN1; SMN2NR4A2 |
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 |