Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 1/20 | 0.37 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | CASR | P41180 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2226887 | 0.83 | SMN1; SMN2 (0.39) | ALDH1A1PBRM1LMNASMN1; SMN2MEN1 | |
| SCHEMBL2230159 | 0.79 | ALDH1A1 (0.53) | ALDH1A1SIGMAR1PBRM1CYP3A4CHRM2 | |
| SCHEMBL27855255 | 0.74 | TSHR (0.33) | — | |
| SCHEMBL27855219 | 0.73 | TDP1 (0.36) | ALDH1A1PBRM1CYP3A4LMNACYP1A2 | |
| SCHEMBL2229514 | 0.73 | SIGMAR1 (0.44) | ALDH1A1SIGMAR1PBRM1CYP3A4CHRM2 | |
| SCHEMBL2230721 | 0.72 | SIGMAR1 (0.46) | ALDH1A1SIGMAR1PBRM1CYP3A4CHRM2 | |
| SCHEMBL27855263 | 0.71 | SMN1; SMN2 (0.49) | SIGMAR1CYP3A4ACP3SMN1; SMN2MEN1 | |
| SCHEMBL5892861 | 0.71 | ALDH1A1 (0.42) | ALDH1A1SIGMAR1CYP3A4CHRM2HTR1A | |
| SCHEMBL5892761 | 0.71 | ALDH1A1 (0.42) | ALDH1A1SIGMAR1CYP3A4CHRM2HTR1A | |
| SCHEMBL2228853 | 0.69 | ALDH1A1 (0.40) | ALDH1A1LMNAMEN1KMT2AALOX12 |
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-2011091346-A2 | POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP | BRIDGESTONE CORPORATION (JP) | 2011-07-28 | — | — | WO | disclosed |