Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR3C1 | P04150 | 10/20 | 0.42 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.41 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.41 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.37 |
| ▸ | EDNRA | P25101 | 2/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.36 |
| ▸ | SLC6A9 | P48067 | 3/20 | 0.36 |
| ▸ | EDNRB | P24530 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | SCN1A | P35498 | 1/20 | 0.35 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9002378 | 0.84 | NR3C1 (0.38) | NR3C1ALDH1A1 | |
| SCHEMBL9002438 | 0.82 | CYP3A4 (0.46) | SLC6A9KDM4EALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL9002369 | 0.81 | CYP3A4 (0.50) | HTR6KDM4EALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL9002497 | 0.79 | ALDH1A1 (0.54) | HTR6KDM4EALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL20025843 | 0.72 | SLC1A3 (0.55) | SLC1A3SLC1A2SLC1A1EDNRAHCRTR1 | |
| SCHEMBL9001942 | 0.70 | CYP3A4 (0.45) | HTR6SLC6A9KDM4EALDH1A1CYP1A2 | |
| Hydrochloric Acid SCHEMBL9001969 | 0.69 | SCN1A (0.46) | HTR6SLC6A9KDM4EALDH1A1CYP1A2 | |
| SCHEMBL13951132 | 0.69 | SLC1A3 (0.54) | SLC1A3SLC1A2SLC1A1EDNRAHCRTR1 | |
| SCHEMBL12132457 | 0.69 | KDM4E (0.56) | SLC1A3SLC1A2SLC1A1EDNRAHCRTR1 | |
| SCHEMBL9001901 | 0.69 | CYP3A4 (0.48) | HTR6KDM4EALDH1A1CYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-5587383-A | CALMODULIN INHIBITORS; ANTIISCHEMIC AGENTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-12-24 | — | — | US | 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 |