Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.61 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | BCHE | P06276 | 3/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | CASR | P41180 | 1/20 | 0.41 |
| ▸ | KDM4A | O75164 | 1/20 | 0.40 |
| ▸ | MC4R | P32245 | 1/20 | 0.40 |
| ▸ | MC5R | P33032 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8099628 | 0.79 | EPHX2 (0.57) | SIGMAR1EPHX2KDM4A | |
| SCHEMBL8096670 | 0.76 | SIGMAR1 (1.00) | SIGMAR1 | |
| SCHEMBL8091056 | 0.75 | SIGMAR1 (0.58) | SIGMAR1CYP1A2BCHECASRMC4R | |
| SCHEMBL12301554 | 0.74 | SIGMAR1 (0.56) | SIGMAR1CYP1A2BCHECYP2A6HDAC1 | |
| SCHEMBL20545401 | 0.74 | ALDH1A1 (0.50) | SIGMAR1EPHX2HDAC1 | |
| SCHEMBL9666471 | 0.74 | SIGMAR1 (0.59) | SIGMAR1CYP1A2CYP2A6HDAC1HDAC8 | |
| SCHEMBL24504966 | 0.72 | SMN1; SMN2 (0.54) | EPHX2HDAC1 | |
| SCHEMBL9373302 | 0.72 | SIGMAR1 (0.68) | SIGMAR1CYP1A2MC4RMC5R | |
| SCHEMBL20908974 | 0.72 | SMN1; SMN2 (0.54) | EPHX2HDAC1 | |
| SCHEMBL15901399 | 0.72 | EPHX2 (0.42) | EPHX2HDAC1 |
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 | disclosed |