Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 16/20 | 0.83 |
| ▸ | DRD2 | P14416 | 15/20 | 0.83 |
| ▸ | HTR2A | P28223 | 4/20 | 0.83 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.72 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.72 |
| ▸ | HTT | P42858 | 1/20 | 0.69 |
| ▸ | ACHE | P22303 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL4194997 | 0.89 | HTR1A (1.00) | HTR1ADRD2HTR2AOPRM1OPRK1 | |
| SCHEMBL5365266 | 0.87 | SLC6A4 (0.69) | HTR1ADRD2HTR2A | |
| SCHEMBL7536094 | 0.85 | OPRM1 (0.78) | HTR1ADRD2HTR2AOPRM1OPRK1 | |
| SCHEMBL14280720 | 0.84 | OPRM1 (1.00) | HTR1ADRD2HTR2AOPRM1OPRK1 | |
| SCHEMBL9527241 | 0.83 | OPRM1 (0.78) | HTR1ADRD2HTR2AOPRM1OPRK1 | |
| SCHEMBL6133368 | 0.83 | DRD2 (0.71) | HTR1ADRD2HTR2A | |
| SCHEMBL16801500 | 0.82 | HTR1A (0.61) | HTR1ADRD2HTR2AOPRM1OPRK1 | |
| SCHEMBL7543848 | 0.82 | HTR1A (1.00) | HTR1ADRD2HTR2AOPRM1OPRK1 | |
| SCHEMBL27909660 | 0.82 | HTR1A (1.00) | HTR1ADRD2HTR2AOPRM1OPRK1 | |
| SCHEMBL7465475 | 0.81 | HTR1A (0.57) | HTR1ADRD2HTR2AOPRM1OPRK1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6476028-B1 | Compounds and methods | SMITHKLINE BEECHAM CORPORATION | 2002-11-05 | — | — | US | claimed |
| CN-102796075-B | Benzocycloheptenes derivative as well as preparation method and medical application thereof | INST PHARM & TOXICOLOGY AMMS | 2014-03-12 | — | — | CN | disclosed |
| CN-101481323-B | Benzocycloheptenes derivatives, preparation method and medical application thereof | POISON MED INST PLA MED ACAD | 2013-11-20 | — | — | CN | disclosed |
| CN-102796075-A | Benzocycloheptenes derivative as well as preparation method and medical application thereof | INST PHARM & TOXICOLOGY AMMS | 2012-11-28 | — | — | CN | disclosed |
| US-6476028-B1 | Compounds and methods | SMITHKLINE BEECHAM CORPORATION | 2002-11-05 | — | — | US | disclosed |