Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 19/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4907938 | 0.85 | TACR1 (0.65) | TACR1CYP2D6KCNH2HTR1AHTR2A | |
| SCHEMBL6402148 | 0.85 | TACR1 (0.65) | TACR1CYP2D6KCNH2HTR1AHTR2A | |
| SCHEMBL6401334 | 0.85 | TACR1 (0.65) | TACR1CYP2D6KCNH2HTR1AHTR2A | |
| SCHEMBL4919798 | 0.84 | TACR1 (0.66) | TACR1CYP2D6KCNH2HTR1AHTR2A | |
| SCHEMBL6400810 | 0.84 | TACR1 (0.66) | TACR1CYP2D6KCNH2HTR1AHTR2A | |
| SCHEMBL4917686 | 0.84 | TACR1 (0.66) | TACR1CYP2D6KCNH2HTR1AHTR2A | |
| Hydrochloric Acid SCHEMBL8116125 | 0.83 | TACR1 (0.65) | TACR1CYP2D6KCNH2HTR1AHTR2A | |
| Hydrochloric Acid SCHEMBL6405907 | 0.83 | TACR1 (0.65) | TACR1CYP2D6KCNH2HTR1AHTR2A | |
| Hydrochloric Acid SCHEMBL6406212 | 0.83 | TACR1 (0.65) | TACR1CYP2D6KCNH2HTR1AHTR2A | |
| SCHEMBL7535194 | 0.81 | TACR1 (0.46) | TACR1CYP2D6KCNH2HTR1AHTR2A |
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-1178984-B1 | 1-TRIFLUOROMETHYL-4-HYDROXY-7-PIPERIDINYL-AMINOMETHYLCHROMAN DERIVATIVES | PFIZER PROD INC (US) | 2003-03-19 | — | — | EP | claimed |
| US-6239147-B1 | TO TREAT CNS, GASTROINTESTINAL AND OTHER DISORDERS. SUBSTANCE P ANTAGONISTS HAVING IMPROVED ACTIVITY AND FEWER SIDE EFFECTS, TREATMENT OF EMESIS INDUCED BY ANTINEOPLASTIC AGENTS, ISOCHROMAN RING | PFIZER INC | 2001-05-29 | — | — | US | claimed |