Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP2 | O75604 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.47 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.47 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.47 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | HRH1 | P35367 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | HTR2B | P41595 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL11670994 | 0.84 | PPARG (0.42) | CYP3A4CYP1A2CYP2D6CYP2C9NPSR1 | |
| SCHEMBL8975083 | 0.84 | TSHR (0.46) | ADRA2AADRA2BHTR2AHRH1KCNH2 | |
| SCHEMBL11676495 | 0.83 | MAPT (0.47) | CYP3A4CYP1A2CYP2C9NPSR1GAA | |
| SCHEMBL11676111 | 0.83 | MAPT (0.46) | CYP3A4ADRB1CYP2C9NPSR1MEN1 | |
| SCHEMBL11675904 | 0.82 | S1PR1 (0.43) | SLC6A2SLC6A4HRH1SLC6A3KCNH2 | |
| SCHEMBL11677830 | 0.81 | MTNR1A (0.47) | SLC6A2SLC6A4MEN1KMT2APOLB | |
| SCHEMBL11675966 | 0.78 | RAB9A (0.48) | ADRB1POLBMAPTLMNAALDH1A1 | |
| SCHEMBL11675939 | 0.78 | L3MBTL1 (0.46) | CYP1A2CYP2D6NPSR1MEN1KMT2A | |
| SCHEMBL11675919 | 0.77 | ALDH1A1 (0.43) | CHRM3SLC6A2SLC6A4HRH1SLC6A3 | |
| SCHEMBL11689563 | 0.76 | NPC1 (0.44) | ADRB1ADRA2AADRA2BHTR2AHRH1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4051117-A | Triazole-azo-phenyl cationic dyestuffs | BAYER AKTIENGESELLSCHAFT (DT) | 1977-09-27 | — | — | US | disclosed |
| US-4051084-A | BENZOTHIAZOLE | BAYER AKTIENGESELLSCHAFT (DT) | 1977-09-27 | — | — | US | disclosed |