Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.44 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | HRH2 | P25021 | 3/20 | 0.42 |
| ▸ | HRH1 | P35367 | 3/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | THRA | P10827 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7387492 | 0.91 | DRD4 (0.47) | DRD4CYP2J2KDM4EL3MBTL1HRH2 | |
| SCHEMBL7383411 | 0.85 | CYP2J2 (0.55) | CYP3A4CYP2C9CYP2B6CYP2J2L3MBTL1 | |
| SCHEMBL7394247 | 0.83 | DRD4 (0.49) | DRD4KDM4EL3MBTL1KCNH2 | |
| SCHEMBL7391718 | 0.82 | DRD4 (0.47) | DRD4KDM4EL3MBTL1 | |
| SCHEMBL7390338 | 0.81 | DRD2 (0.56) | DRD4KDM4EL3MBTL1KCNH2 | |
| SCHEMBL7389570 | 0.81 | DRD4 (0.54) | DRD4KDM4EL3MBTL1HRH1KCNH2 | |
| SCHEMBL7390484 | 0.81 | DRD4 (0.54) | DRD4KDM4EL3MBTL1HRH1KCNH2 | |
| SCHEMBL7390423 | 0.81 | DRD4 (0.47) | DRD4KDM4EL3MBTL1 | |
| SCHEMBL7390321 | 0.80 | DRD4 (0.47) | DRD4KDM4EL3MBTL1 | |
| SCHEMBL7393279 | 0.80 | DRD4 (0.69) | DRD4KCNH2 |
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 |