Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.54 |
| ▸ | SCN1A | P35498 | 2/20 | 0.54 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.54 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | NPY5R | Q15761 | 5/20 | 0.47 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.47 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.47 |
| ▸ | HTR7 | P34969 | 5/20 | 0.45 |
| ▸ | HTR6 | P50406 | 2/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | F13A1 | P00488 | 2/20 | 0.42 |
| ▸ | BRAF | P15056 | 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 | |
|---|---|---|---|---|
| SCHEMBL9002369 | 0.96 | CYP3A4 (0.50) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9002438 | 0.93 | CYP3A4 (0.46) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9002030 | 0.81 | CYP3A4 (0.50) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9002264 | 0.80 | CYP4F2 (0.42) | ALDH1A1NPY5RF13A1TDP1 | |
| SCHEMBL9001970 | 0.80 | CYP4F2 (0.42) | ALDH1A1NPY5RF13A1TDP1 | |
| SCHEMBL9001901 | 0.80 | CYP3A4 (0.48) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9002415 | 0.79 | MAPK1 (0.51) | ALDH1A1KDM4EF13A1BRAFMAPK1 | |
| SCHEMBL9002064 | 0.79 | NR3C1 (0.42) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9002403 | 0.79 | CYP4F2 (0.41) | ALDH1A1NPY5RF13A1 | |
| SCHEMBL9002354 | 0.78 | NPY5R (0.41) | NPY5RF13A1TGM1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5587383-A | CALMODULIN INHIBITORS; ANTIISCHEMIC AGENTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-12-24 | — | — | US | disclosed |
| EP-0471236-B1 | Imidazopyridine derivatives and their use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1995-03-15 | — | — | EP | disclosed |
| US-5395839-A | Calmodulin and angiogenesis inhibitors | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-03-07 | — | — | US | disclosed |
| US-5244908-A | Calmodulin inhibitors | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-09-14 | — | — | US | disclosed |
| EP-0471236-A1 | Imidazopyridine derivatives and their use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1992-02-19 | — | — | EP | disclosed |