Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | PTGER1 | P34995 | 5/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.42 |
| ▸ | MRGPRX4 | Q96LA9 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 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 | |
|---|---|---|---|---|
| SCHEMBL9544537 | 0.93 | SLC6A4 (0.41) | KDM4EALDH1A1CYP1A2CYP2C9CYP2C19 | |
| Butane SCHEMBL9544535 | 0.82 | ABCB1 (0.42) | KDM4EALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7861235 | 0.81 | ALDH1A1 (0.48) | KDM4EALDH1A1MRGPRX4ATML3MBTL1 | |
| SCHEMBL7860005 | 0.79 | ABCB1 (0.51) | MTNR1AMEN1KMT2AATML3MBTL1 | |
| SCHEMBL6713228 | 0.77 | PPARG (0.53) | ALDH1A1L3MBTL1 | |
| SCHEMBL7861112 | 0.74 | ATM (0.45) | ALDH1A1CYP1A2CYP2C9CYP2C19PTGER1 | |
| SCHEMBL6713441 | 0.74 | RXRA (0.53) | KDM4EALDH1A1MRGPRX4L3MBTL1 | |
| SCHEMBL5113057 | 0.73 | RAB9A (0.52) | ALDH1A1MRGPRX4L3MBTL1 | |
| SCHEMBL6036341 | 0.73 | PPARA (0.50) | CYP1A2MRGPRX4L3MBTL1 | |
| SCHEMBL5208740 | 0.72 | PPARA (0.62) | ALDH1A1CYP1A2MRGPRX4L3MBTL1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0625969-B1 | ARYLALKOXYPHENOXY-IMIDAZOLINE COMPOUNDS | MERRELL PHARMA INC (US) | 2001-03-07 | — | — | EP | disclosed |
| US-5407954-A | Serotonin antagonism; treats depression, anxiety, hypertension and migraine headaches | MERRELL DOW PHARMACEUTICALS INC. (US) | 1995-04-18 | — | — | US | disclosed |
| EP-0625969-A1 | ARYLALKOXYPHENOXY-IMIDAZOLINE COMPOUNDS | MERRELL PHARMACEUTICALS INC. (US) | 1994-11-30 | — | — | EP | disclosed |
| US-5216008-A | Antidepressant, anxiolytic, hypotensive and also treats migraine headaches | MERRELL DOW PHARMACEUTICALS INC. (US) | 1993-06-01 | — | — | US | disclosed |