Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.35 |
| ▸ | FDPS | P14324 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29443967 | 0.93 | CYP3A4 (0.43) | SIGMAR1CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL43944 | 0.93 | CYP3A4 (0.43) | SIGMAR1CYP1A2CYP2C9CYP2C19CYP3A4 | |
| Hydrochloric Acid SCHEMBL9834388 | 0.91 | CYP3A4 (0.42) | SIGMAR1CYP1A2CYP2C9CYP2C19CYP3A4 | |
| Dimethylamine SCHEMBL11246881 | 0.84 | SMN1; SMN2 (0.43) | CYP3A4ALOX15CASP1CASP7SMN1; SMN2 | |
| Catechol SCHEMBL11031358 | 0.83 | TSHR (0.48) | SIGMAR1CYP3A4ALOX15SMN1; SMN2ALDH1A1 | |
| Benzenethiol SCHEMBL27943515 | 0.82 | SIGMAR1 (0.38) | SIGMAR1CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL29573660 | 0.80 | TLR8 (0.49) | SIGMAR1CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL44325 | 0.80 | TLR8 (0.49) | SIGMAR1CYP1A2CYP2C9CYP2C19CYP3A4 | |
| Butane SCHEMBL14335706 | 0.79 | CYP3A4 (0.43) | CYP1A2CYP2C9CYP2C19CYP3A4ALOX15 | |
| SCHEMBL27643309 | 0.79 | HTR2A (0.49) | SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3 |
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-4333930-A | TREATMENT OF CENTRAL NERVOUS DISORDERS, ANALGESICS, ANTIDEPRESSANTS | LABORATOIRES SARGET (FR) | 1982-06-08 | — | — | US | disclosed |