Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 4/20 | 0.70 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.70 |
| ▸ | MAPT | P10636 | 8/20 | 0.69 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.69 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.69 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.69 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.62 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.59 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.59 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.59 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 4/20 | 0.58 |
| ▸ | MEN1 | O00255 | 3/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.58 |
| ▸ | POLB | P06746 | 2/20 | 0.58 |
| ▸ | GAA | P10253 | 2/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL4932340 | 0.92 | MAPT (0.73) | AKR1C3AKR1C2MAPTL3MBTL1MAPK1 | |
| SCHEMBL2328384 | 0.89 | MAPT (0.58) | AKR1C3AKR1C2MAPTL3MBTL1MAPK1 | |
| SCHEMBL14656691 | 0.87 | MAPT (0.84) | AKR1C3AKR1C2MAPTL3MBTL1MAPK1 | |
| SCHEMBL11516026 | 0.86 | AKR1C3 (0.70) | AKR1C3AKR1C2MAPTL3MBTL1MAPK1 | |
| SCHEMBL6179431 | 0.86 | AKR1C3 (0.74) | AKR1C3AKR1C2MAPTL3MBTL1MAPK1 | |
| SCHEMBL11383159 | 0.84 | L3MBTL1 (0.82) | MAPTL3MBTL1MAPK1TDP1ALDH1A1 | |
| SCHEMBL4744863 | 0.83 | MAPT (0.64) | AKR1C3AKR1C2MAPTL3MBTL1MAPK1 | |
| SCHEMBL9121900 | 0.83 | MAPT (0.65) | AKR1C3AKR1C2MAPTL3MBTL1MAPK1 | |
| SCHEMBL4933766 | 0.82 | MAPT (0.67) | AKR1C3AKR1C2MAPTL3MBTL1MAPK1 | |
| SCHEMBL2309318 | 0.82 | MAPT (1.00) | AKR1C3AKR1C2MAPTL3MBTL1MAPK1 |
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-2008107322-A1 | INDOLE, BENZIMIDAZOLE OR BENZOTRIAZOLE DERIVATIVES INCLUDING A PIPERIDINE OR PIPERAZINE CORE AS ANTI-NEOPLASIC AGENTS OR CELL PROLIFERATION INHIBITORS | CEREP (FR) | 2008-09-12 | — | — | WO | disclosed |