Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.39 |
| ▸ | FAAH | O00519 | 8/20 | 0.39 |
| ▸ | CES1 | P23141 | 5/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.35 |
| ▸ | LPAR3 | Q9UBY5 | 1/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11301629 | 1.00 | CES2 (0.39) | CES2FAAHCES1MEN1CYP1A2 | |
| SCHEMBL9100047 | 1.00 | CES2 (0.39) | CES2FAAHCES1MEN1CYP1A2 | |
| SCHEMBL9101764 | 0.94 | CES2 (0.47) | CES2FAAHCES1MEN1CYP1A2 | |
| SCHEMBL9101466 | 0.92 | CES2 (0.50) | CES2FAAHCES1MEN1CYP1A2 | |
| SCHEMBL9098440 | 0.92 | CES2 (0.50) | CES2FAAHCES1MEN1CYP1A2 | |
| SCHEMBL9102150 | 0.86 | CES2 (0.33) | CES2FAAHCES1MEN1CYP1A2 | |
| SCHEMBL13517353 | 0.86 | AKR1B1 (0.40) | MEN1KMT2AHSD17B10AKR1B1 | |
| SCHEMBL7825590 | 0.79 | CES2 (0.43) | CES2FAAHCES1MEN1CYP1A2 | |
| SCHEMBL7825586 | 0.79 | CES2 (0.43) | CES2FAAHCES1MEN1CYP1A2 | |
| Ammonia Solution, Strong SCHEMBL27621075 | 0.78 | AKR1B1 (0.34) | MEN1KMT2AHSD17B10AKR1B1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4256911-A | TRIFLUOROMETHYL-CARBOXY ESTERS | HOFFMANN-LA ROCHE INC. (US) | 1981-03-17 | — | — | US | disclosed |
| US-4237276-A | CARDIOVASCULAR AGENTS, INDUCTION OF LABOR, TERMINATION OF PREGNANCY | HOFFMANN-LA ROCHE INC. (US) | 1980-12-02 | — | — | US | disclosed |
| US-4211724-A | ENANTIOMORPHS, INTERMEDIATE AMIDES WITH ASSYMETRIC CARBON ATOM | HOFFMAN-LA ROCHE INC. (US) | 1980-07-08 | — | — | US | disclosed |
| US-4190587-A | PROSTAGLANDINS | HOFFMANN-LA ROCHE INC. (US) | 1980-02-26 | — | — | US | disclosed |
| US-4187381-A | CARDIOVASCULAR AGENTS; OXYTOCICS | HOFFMANN-LA ROCHE INC. (US) | 1980-02-05 | — | — | US | disclosed |
| US-4112225-A | 16-CF3 prostaglandins | HOFFMAN-LA ROCHE INC. (US) | 1978-09-05 | — | — | US | disclosed |