Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.50 |
| ▸ | MC5R | P33032 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.41 |
| ▸ | MC4R | P32245 | 1/20 | 0.40 |
| ▸ | MC3R | P41968 | 1/20 | 0.40 |
| ▸ | MC1R | Q01726 | 1/20 | 0.40 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.40 |
| ▸ | CASR | P41180 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 2/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 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 | |
|---|---|---|---|---|
| SCHEMBL8091056 | 0.89 | SIGMAR1 (0.58) | SIGMAR1MC5RMEN1KMT2AADRB2 | |
| SCHEMBL8099976 | 0.89 | SIGMAR1 (0.56) | SIGMAR1MEN1KMT2AMC4RMTNR1A | |
| SCHEMBL8093079 | 0.82 | MEN1 (0.59) | SIGMAR1MEN1KMT2AADRB2CASR | |
| SCHEMBL8100043 | 0.82 | SIGMAR1 (0.49) | SIGMAR1MEN1KMT2AMTNR1A | |
| SCHEMBL23330225 | 0.76 | SIGMAR1 (0.59) | SIGMAR1MC5RADRB2ADRB1MC4R | |
| SCHEMBL8096835 | 0.75 | SIGMAR1 (0.46) | SIGMAR1MC5RMAPK1ADRB1MC4R | |
| SCHEMBL8091786 | 0.75 | SIGMAR1 (0.60) | SIGMAR1MEN1KMT2A | |
| SCHEMBL4732505 | 0.73 | SIGMAR1 (0.49) | SIGMAR1KMT2AADRB1MC3RSMPD1 | |
| SCHEMBL932837 | 0.72 | MC5R (0.63) | SIGMAR1MC5RMAPK1MC4RMC3R | |
| SCHEMBL8092963 | 0.71 | SIGMAR1 (0.59) | SIGMAR1MEN1KMT2A |
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-6057371-A | TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, GASTROINTESTINAL DISORDERS, DRUG ABUSE, ANGINA, MIGRAINE, HYPERTENSION AND DEPRESSION | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 2000-05-02 | — | — | US | claimed |