Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 3/20 | 0.44 |
| ▸ | PNMT | P11086 | 2/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | CCR2 | P41597 | 3/20 | 0.39 |
| ▸ | PLAAT3 | P53816 | 1/20 | 0.39 |
| ▸ | PLAAT5 | Q96KN8 | 1/20 | 0.39 |
| ▸ | PLAAT2 | Q9NWW9 | 1/20 | 0.39 |
| ▸ | PLAAT4 | Q9UL19 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | PTPRG | P23470 | 1/20 | 0.39 |
| ▸ | PLA2G1B | P04054 | 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 | |
|---|---|---|---|---|
| SCHEMBL4962307 | 0.84 | SIGMAR1 (0.45) | SIGMAR1TDP1CYP3A4IDO1PNMT | |
| SCHEMBL11411021 | 0.83 | PNMT (0.41) | SIGMAR1CYP3A4IDO1PNMTTAAR1 | |
| SCHEMBL29494831 | 0.82 | IDO1 (0.61) | SIGMAR1IDO1PNMTTAAR1SLC6A2 | |
| SCHEMBL407334 | 0.82 | IDO1 (0.61) | SIGMAR1IDO1PNMTTAAR1SLC6A2 | |
| SCHEMBL22871613 | 0.80 | CYP3A4 (0.57) | TDP1CYP3A4KMT2ATSHR | |
| Ammonia Solution, Strong SCHEMBL14485188 | 0.80 | IDO1 (0.58) | SIGMAR1IDO1PNMTTAAR1SLC6A2 | |
| SCHEMBL16618385 | 0.80 | IDO1 (0.58) | SIGMAR1IDO1PNMTTAAR1SLC6A2 | |
| SCHEMBL6201046 | 0.79 | TDP1 (0.50) | SIGMAR1TDP1CYP3A4IDO1PLAAT3 | |
| Hydrochloric Acid SCHEMBL5143704 | 0.78 | CYP3A4 (0.55) | TDP1CYP3A4KMT2ATSHR | |
| (Chloromethyl)Benzene SCHEMBL304085 | 0.78 | CYP3A4 (0.60) | SIGMAR1TDP1CYP3A4IDO1ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6013656-A | PSYCHOLOGICAL DISORDERS; GASTROINTESTINAL DISORDERS; NERVOUSSYSTEM DISORDERS | WARNER-LAMBERT COMPANY (US) | 2000-01-11 | — | — | US | disclosed |
| US-5849760-A | 2-(arylalkenyl)azacycloalkane derivatives as ligands for sigma receptors | INSTITUT DE RECHERCHE JOUVEINAL (FR) | 1998-12-15 | — | — | US | disclosed |
| US-4187300-A | Use of phosphonium salts in treatment of African trypanosomiasis | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1980-02-05 | — | — | US | disclosed |