Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.56 |
| ▸ | PARP1 | P09874 | 4/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | HTR1A | P08908 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | DRD2 | P14416 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | DRD4 | P21917 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | DRD3 | P35462 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL8683088 | 0.84 | DRD4 (0.60) | PARP1MAPTDRD2DRD4DRD3 | |
| SCHEMBL9775955 | 0.77 | HRH3 (0.78) | SIGMAR1HRH3 | |
| SCHEMBL3990045 | 0.76 | HRH3 (0.63) | SIGMAR1DRD2DRD3HRH3 | |
| SCHEMBL10969078 | 0.76 | HTR1A (0.60) | SIGMAR1PARP1CYP1A2CYP3A4HTR1A | |
| SCHEMBL10967600 | 0.75 | TDP1 (0.64) | SIGMAR1PARP1CYP1A2CYP3A4HTR1A | |
| SCHEMBL8871095 | 0.74 | HTR1A (0.61) | SIGMAR1CYP1A2CYP3A4HTR1AMAPT | |
| SCHEMBL8688791 | 0.74 | CHRNA7 (0.84) | SIGMAR1PARP1CYP1A2CYP3A4TSHR | |
| SCHEMBL9582455 | 0.73 | PARP1 (0.56) | SIGMAR1PARP1CYP1A2CYP3A4HTR1A | |
| SCHEMBL8875223 | 0.73 | PARP1 (0.58) | PARP1CYP3A4MAPTDRD2TSHR | |
| SCHEMBL7297566 | 0.73 | SIGMAR1 (0.63) | SIGMAR1PARP1HTR1ADRD2DRD4 |
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-5731331-A | Tetrahydropyridine-(or 4-hydroxypiperidine) alkylazoles | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 1998-03-24 | — | — | US | disclosed |