Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.55 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7985550 | 0.81 | SIGMAR1 (0.45) | SIGMAR1 | |
| SCHEMBL7983126 | 0.81 | SIGMAR1 (0.45) | SIGMAR1 | |
| SCHEMBL31644147 | 0.75 | SIGMAR1 (0.60) | SIGMAR1ADRA2AHTR2ATMEM97OPRM1 | |
| SCHEMBL8474111 | 0.71 | SIGMAR1 (1.00) | SIGMAR1ADRA2AHTR2ATMEM97OPRM1 | |
| SCHEMBL8494118 | 0.69 | SIGMAR1 (0.84) | SIGMAR1ADRA2AHTR2ATMEM97OPRM1 | |
| SCHEMBL3995859 | 0.67 | SIGMAR1 (0.71) | SIGMAR1ADRA2AHTR2A | |
| SCHEMBL3919858 | 0.67 | SIGMAR1 (0.71) | SIGMAR1ADRA2AHTR2A | |
| SCHEMBL27379000 | 0.65 | HTR2A (0.33) | HTR2A | |
| SCHEMBL9374719 | 0.62 | SIGMAR1 (0.44) | SIGMAR1ADRA2AHTR2A | |
| SCHEMBL15609020 | 0.61 | SIGMAR1 (0.43) | SIGMAR1 |
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-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 | disclosed |