Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 5/20 | 0.38 |
| ▸ | DRD3 | P35462 | 4/20 | 0.37 |
| ▸ | DRD1 | P21728 | 2/20 | 0.37 |
| ▸ | DRD5 | P21918 | 2/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | DRD4 | P21917 | 4/20 | 0.35 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.35 |
| ▸ | WNT3A | P56704 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14424030 | 0.89 | ERN1 (0.41) | ALDH1A1MAPTHPGDCTNNB1WNT3A | |
| SCHEMBL13839625 | 0.89 | ERN1 (0.41) | ALDH1A1MAPTHPGDCTNNB1WNT3A | |
| SCHEMBL13839619 | 0.84 | ALDH1A1 (0.35) | ALDH1A1HPGDNPC1KMT2ARAB9A | |
| SCHEMBL13841193 | 0.83 | ALDH1A1 (0.50) | ALDH1A1MAPTHPGDHTTCYP3A4 | |
| SCHEMBL13839632 | 0.83 | MAOA (0.33) | — | |
| SCHEMBL13839636 | 0.81 | NISCH (0.33) | CA1CA2ALDH1A1MAPTHPGD | |
| SCHEMBL13841317 | 0.81 | ALDH1A1 (0.40) | ALDH1A1MAPTHPGDHTTL3MBTL1 | |
| SCHEMBL13839621 | 0.81 | CYP1A2 (0.34) | CA2ALDH1A1MAPTL3MBTL1KDM4E | |
| SCHEMBL13839626 | 0.80 | HTR1B (0.35) | ALDH1A1HPGDMAPK1HTTL3MBTL1 | |
| SCHEMBL13839620 | 0.79 | HRH1 (0.35) | DRD2MAPK1HTR1ARAB9A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7531682-B2 | Method for making nitrile compounds from ethylenically unsaturated compounds | RHODIA POLYAMIDE INTERMEDIATES (FR) | 2009-05-12 | — | — | US | disclosed |
| US-7531682-B2 | Method for making nitrile compounds from ethylenically unsaturated compounds | RHODIA POLYAMIDE INTERMEDIATES (FR) | 2009-05-12 | — | — | US | disclosed |
| US-7253298-B2 | Hydrocyanating an unsaturated aliphatic nitrile, or a linear pentenenitrile in a liquid medium with hydrogen cyanide in the presence of a Nickel catalyst with an triaryl phosphite ligand; isomerization | RHODIA POLYAMIDE INTERMEDIATES (FR) | 2007-08-07 | — | — | US | disclosed |
| US-7253298-B2 | Hydrocyanating an unsaturated aliphatic nitrile, or a linear pentenenitrile in a liquid medium with hydrogen cyanide in the presence of a Nickel catalyst with an triaryl phosphite ligand; isomerization | RHODIA POLYAMIDE INTERMEDIATES (FR) | 2007-08-07 | — | — | US | disclosed |