Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 6/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.44 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.44 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.44 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11544650 | 0.89 | SIGMAR1 (0.44) | SIGMAR1GRIN1GRIN2B | |
| Hydrochloric Acid SCHEMBL11542769 | 0.84 | SLC18A3 (0.43) | CYP2D6ALDH1A1 | |
| Bromide SCHEMBL11478757 | 0.84 | SLC18A3 (0.43) | CYP2D6ALDH1A1 | |
| Hydrochloric Acid SCHEMBL11541416 | 0.81 | DRD1 (0.56) | SIGMAR1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL1400959 | 0.79 | TACR1 (0.61) | TACR1SIGMAR1GRIN1GRIN2BCHRM2 | |
| Hydrochloric Acid SCHEMBL11543140 | 0.79 | DRD1 (0.51) | CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL1916289 | 0.74 | TACR1 (0.51) | TACR1SIGMAR1CHRM2CHRM3CYP1A2 | |
| Hydrochloric Acid SCHEMBL3290339 | 0.73 | TACR1 (0.52) | TACR1SIGMAR1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6440459 | 0.72 | TACR1 (0.64) | TACR1SIGMAR1ESR1ESR2CYP1A2 | |
| SCHEMBL6439506 | 0.71 | TACR1 (0.54) | TACR1SIGMAR1GRIN1GRIN2BALDH1A1 |
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-4172890-A | CARDIOVASCULAR, PARKINSON'S DISEASE, DOPAMINERGIC | SMITHKLINE CORPORATION (US) | 1979-10-30 | — | — | US | disclosed |
| US-4108989-A | TREATING PARKINSON*S DISEASE, CARDIOVASCULAR DISORDERS | SMITHKLINE CORPORATION (US) | 1978-08-22 | — | — | US | disclosed |