Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4927817 | 0.80 | ALDH1A1 (0.51) | RAB9ANPC1KMT2ALMNATSHR | |
| SCHEMBL7426272 | 0.77 | TRPM8 (0.48) | TRPM8ALDH1A1POLBHSD17B10TDP1 | |
| SCHEMBL7418946 | 0.73 | HSD11B1 (0.40) | TRPM8HSD11B1RAB9ANPC1KMT2A | |
| SCHEMBL12539255 | 0.73 | TRPM8 (0.64) | TRPM8CYP1A2CYP2C9CYP2C19HSD11B1 | |
| SCHEMBL28683018 | 0.73 | CYP1A2 (0.48) | TRPM8CYP1A2CYP2C9CYP2C19KMT2A | |
| SCHEMBL8910127 | 0.72 | CYP1A2 (0.50) | TRPM8CYP1A2CYP2C9CYP2C19KMT2A | |
| SCHEMBL14786664 | 0.72 | ALDH1A1 (0.55) | RAB9ANPC1KMT2ALMNATSHR | |
| SCHEMBL12313813 | 0.70 | HSD11B1 (0.58) | TRPM8CYP1A2CYP2C9CYP2C19HSD11B1 | |
| Ethyl Acetate SCHEMBL27490578 | 0.70 | CYP1A2 (0.51) | TRPM8CYP1A2CYP2C9CYP2C19KMT2A | |
| SCHEMBL16880290 | 0.70 | CYP1A2 (0.48) | TRPM8CYP1A2CYP2C9CYP2C19KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1265903-A1 | THIEPINO[3,2-B]DIHYDROPYRIDINES AND RELATED COMPOSITIONS AND METHODS | Ortho-Mcneil Pharmaceutical, Inc. (US) | 2002-12-18 | — | — | EP | disclosed |
| US-6420383-B1 | CALCIUM CHANNEL BLOCKERS, HYPERSENSITIVITY, ALLERGY, ASTHMA, BRONCHOSPASM, DYSMENORRHEA, ESOPHAGEAL SPASM, GLAUCOMA, PREMATURE LABOR, URINARY TRACT DISORDERS, GASTROINTESTINAL MOTILITY DISORDERS AND CARDIOVASCULAR DISORDERS. | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2002-07-16 | — | — | US | disclosed |
| WO-2001070748-A1 | THIEPINO [3,2-b] DIHYDROPYRIDINES AND RELATED COMPOSITIONS AND METHODS | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2001-09-27 | — | — | WO | disclosed |