Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2J2 | P51589 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.55 |
| ▸ | THRA | P10827 | 3/20 | 0.55 |
| ▸ | THRB | P10828 | 3/20 | 0.55 |
| ▸ | HRH2 | P25021 | 8/20 | 0.51 |
| ▸ | HRH1 | P35367 | 8/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7389512 | 0.94 | THRA (0.60) | CYP2J2CYP3A4CYP2C9CYP2B6THRA | |
| SCHEMBL7391390 | 0.90 | CYP2J2 (0.54) | CYP2J2THRATHRBHRH2HRH1 | |
| SCHEMBL7390388 | 0.85 | DRD4 (0.46) | CYP2J2CYP3A4CYP2C9CYP2B6THRA | |
| SCHEMBL7394120 | 0.84 | DRD2 (0.53) | CYP2J2HRH2HRH1HRH3TSHR | |
| SCHEMBL7389213 | 0.82 | NPC1 (0.54) | HRH2HRH1HRH3TSHR | |
| SCHEMBL7381746 | 0.81 | TSHR (0.64) | HRH1HRH3TSHR | |
| SCHEMBL7390664 | 0.81 | HTR1A (0.53) | HRH2HRH1L3MBTL1HRH3TSHR | |
| SCHEMBL7395417 | 0.81 | DRD2 (0.60) | CYP2J2CYP3A4CYP2C9HRH2HRH1 | |
| SCHEMBL7391863 | 0.81 | DRD2 (0.60) | CYP2J2CYP3A4CYP2C9HRH2HRH1 | |
| SCHEMBL7391420 | 0.81 | KMT2A (0.55) | CYP2J2CYP3A4HRH1TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5864039-A | THERAPEUTIC TREATMENT OF VARIOUS GASTROINTESTINAL DISEASES, CENTRAL NERVOUS DISORDERS, CARDIOVASCULAR DISORDERS, URINARY DISEASES, UROGENITAL DISORDERS | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1999-01-26 | — | — | US | disclosed |
| EP-0873990-A1 | BENZOIC ACID COMPOUNDS AND MEDICINAL USE THEREOF | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1998-10-28 | — | — | EP | disclosed |