Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE7A | Q13946 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | FLT3 | P36888 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.42 |
| ▸ | NQO2 | P16083 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.41 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | OTUD7B | Q6GQQ9 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL23799162 | 0.90 | FLT3 (0.42) | PDE7AALDH1A1HRH3FLT3OPRM1 | |
| SCHEMBL23778269 | 0.87 | HRH3 (0.42) | PDE7AALDH1A1HRH3FLT3NQO2 | |
| SCHEMBL23798611 | 0.84 | EPHX2 (0.44) | ALDH1A1CYP2C19HRH3EPHX2OPRM1 | |
| SCHEMBL30179229 | 0.84 | ALDH1A1 (0.47) | ALDH1A1HRH3 | |
| SCHEMBL20066053 | 0.84 | ALDH1A1 (0.47) | ALDH1A1HRH3 | |
| SCHEMBL4717250 | 0.82 | PDE7A (0.62) | PDE7AAKR1B1 | |
| SCHEMBL23799149 | 0.81 | MAOA (0.41) | PDE7AHRH3FLT3OPRM1OPRL1 | |
| SCHEMBL29487409 | 0.81 | PDE7A (0.55) | PDE7AALDH1A1AKR1B1MAOAMAOB | |
| SCHEMBL28578842 | 0.81 | PDE7A (0.55) | PDE7AALDH1A1AKR1B1MAOAMAOB | |
| SCHEMBL23798650 | 0.80 | NQO2 (0.38) | PDE7AALDH1A1FLT3EPHX2NQO2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3526207-B1 | HETEROCYCLIC COMPOUNDS HAVING ACTIVITY AS MODULATORS OF MUSCARINIC M1 AND/OR M4 RECEPTORS IN THE TREATMENT OF CNS DISEASES AND PAINS. | HEPTARES THERAPEUTICS LTD (GB) | 2021-09-08 | — | — | EP | disclosed |