Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 2/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.44 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.44 |
| ▸ | HTR3B | O95264 | 1/20 | 0.44 |
| ▸ | HTR3A | P46098 | 1/20 | 0.44 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.44 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 3/20 | 0.42 |
| ▸ | HTR2A | P28223 | 2/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 4/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL746788 | 0.82 | ADRB1 (0.47) | ADRB1SIGMAR1HTR3EHTR3BHTR3A | |
| SCHEMBL1442618 | 0.82 | SIGMAR1 (0.47) | ADRB1SIGMAR1HTR3EHTR3BHTR3A | |
| Hydrochloric Acid SCHEMBL6830556 | 0.81 | ADRB1 (0.46) | ADRB1SIGMAR1HTR3EHTR3BHTR3A | |
| SCHEMBL27419645 | 0.79 | ADRB1 (0.44) | ADRB1SIGMAR1HTR3EHTR3BHTR3A | |
| Hydrochloric Acid SCHEMBL28596444 | 0.79 | KMO (0.46) | USP2CYP2D6ALDH1A1CYP3A4CYP1A2 | |
| SCHEMBL27659690 | 0.76 | SIGMAR1 (0.41) | ADRB1SIGMAR1HTR3EHTR3BHTR3A | |
| SCHEMBL746085 | 0.75 | SIGMAR1 (0.47) | ADRB1SIGMAR1HTR3EHTR3BHTR3A | |
| SCHEMBL1207948 | 0.75 | SIGMAR1 (0.47) | ADRB1SIGMAR1HTR3EHTR3BHTR3A | |
| SCHEMBL7582179 | 0.75 | ADRB1 (0.47) | ADRB1SIGMAR1HTR3EHTR3BHTR3A | |
| SCHEMBL8591951 | 0.75 | ADRB1 (0.43) | ADRB1SIGMAR1HTR3EHTR3BHTR3A |
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-0772604-A1 | TRIAZOLE COMPOUNDS AND THEIR USE AS DOPAMINE-D 3?-LIGANDS | BASF AKTIENGESELLSCHAFT (DE) | 1997-05-14 | — | — | EP | disclosed |
| WO-1996002520-A1 | TRIAZOLE COMPOUNDS AND THEIR USE AS DOPAMINE-D3-LIGANDS | BASF AKTIENGESELLSCHAFT (DE) | 1996-02-01 | — | — | WO | disclosed |