Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | DRD2 | P14416 | 3/20 | 0.47 |
| ▸ | HTR1A | P08908 | 2/20 | 0.47 |
| ▸ | HTR7 | P34969 | 2/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | HRH1 | P35367 | 1/20 | 0.47 |
| ▸ | HTR2B | P41595 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | ARG1 | P05089 | 1/20 | 0.41 |
| ▸ | ARG2 | P78540 | 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 | |
|---|---|---|---|---|
| SCHEMBL12680656 | 0.88 | DRD3 (0.55) | ALDH1A1DRD2HTR1AHTR7HTR2C | |
| SCHEMBL38660913 | 0.78 | ALDH1A1 (0.81) | ALDH1A1CYP1A2CYP2D6CYP2C19DRD2 | |
| SCHEMBL14670200 | 0.78 | ALDH1A1 (0.81) | ALDH1A1CYP1A2CYP2D6CYP2C19DRD2 | |
| SCHEMBL30072993 | 0.76 | ALDH1A1 (0.59) | ALDH1A1CYP1A2CYP2D6CYP2C19DRD2 | |
| SCHEMBL13261683 | 0.76 | ALDH1A1 (0.92) | ALDH1A1CYP1A2CYP2D6CYP2C19DRD2 | |
| SCHEMBL9278470 | 0.75 | ALDH1A1 (0.46) | ALDH1A1CYP1A2CYP2D6CYP2C19DRD2 | |
| SCHEMBL6673534 | 0.74 | ALDH1A1 (0.96) | ALDH1A1CYP1A2CYP2D6CYP2C19DRD2 | |
| SCHEMBL14288506 | 0.74 | ALDH1A1 (0.96) | ALDH1A1CYP1A2CYP2D6CYP2C19DRD2 | |
| SCHEMBL38662915 | 0.74 | ALDH1A1 (0.96) | ALDH1A1CYP1A2CYP2D6CYP2C19DRD2 | |
| SCHEMBL15779805 | 0.74 | ALDH1A1 (0.96) | ALDH1A1CYP1A2CYP2D6CYP2C19DRD2 |
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 |
|---|---|---|---|---|---|---|---|
| US-8273772-B2 | Heteroaryl compounds as P2Y1 receptor inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-09-25 | — | — | US | disclosed |