Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | CASR | P41180 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9055270 | 0.76 | ALDH1A1 (0.55) | ALDH1A1CYP3A4CYP2D6CHRM2HTR1A | |
| SCHEMBL1101360 | 0.72 | ALDH1A1 (0.52) | ALDH1A1CYP3A4CYP2D6CHRM2HTR1A | |
| SCHEMBL19973268 | 0.72 | ALDH1A1 (0.40) | ALDH1A1CYP3A4CYP2D6CHRM2HTR1A | |
| SCHEMBL27614901 | 0.71 | ALDH1A1 (0.46) | ALDH1A1CYP3A4CYP2D6CHRM2HTR1A | |
| SCHEMBL16095568 | 0.71 | ALDH1A1 (0.50) | ALDH1A1CYP3A4CYP2D6CHRM2HTR1A | |
| SCHEMBL27595937 | 0.69 | ALDH1A1 (0.44) | ALDH1A1CYP3A4CYP2D6CHRM2HTR1A | |
| SCHEMBL2390659 | 0.69 | CYP3A4 (0.52) | ALDH1A1CYP3A4CYP2D6CHRM2HTR1A | |
| SCHEMBL8437895 | 0.69 | SIGMAR1 (0.61) | ALDH1A1CYP3A4CYP2D6CHRM2HTR1A | |
| SCHEMBL28869351 | 0.69 | CYP3A4 (0.52) | ALDH1A1CYP3A4CYP2D6CHRM2HTR1A | |
| SCHEMBL283979 | 0.69 | SIGMAR1 (0.61) | ALDH1A1CYP3A4CYP2D6CHRM2HTR1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2969593-A1 | POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC IMINES | Bridgestone Corporation (JP) | 2016-01-20 | — | — | EP | disclosed |
| WO-2014149931-A1 | POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC IMINES | BRIDGESTONE CORPORATION (JP) | 2014-09-25 | — | — | WO | disclosed |