Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR5A | P47898 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 9/20 | 0.33 |
| ▸ | PGR | P06401 | 5/20 | 0.33 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | PKLR | P30613 | 1/20 | 0.32 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | GRM5 | P41594 | 1/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA4 | P22748 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10840955 | 1.00 | HTR5A (0.40) | HTR5AADRA2APDE7AARPGR | |
| SCHEMBL10839480 | 0.80 | HTR5A (0.41) | HTR5APDE7AARCA12CA1 | |
| SCHEMBL10840441 | 0.79 | PDE7A (0.37) | PDE7AARCA12CA1CA2 | |
| SCHEMBL10841141 | 0.79 | AHR (0.43) | HTR5AADRA2APDE7AAR | |
| SCHEMBL10840425 | 0.78 | AR (0.45) | PDE7AARPGRNR3C2 | |
| SCHEMBL10841360 | 0.76 | AR (0.33) | AR | |
| SCHEMBL6986075 | 0.76 | HTR5A (0.45) | HTR5AADRA2ADRD2DRD3 | |
| SCHEMBL29789658 | 0.76 | HTR5A (0.45) | HTR5AADRA2ADRD2DRD3 | |
| SCHEMBL10840604 | 0.75 | KDM1A (0.34) | ARDRD2 | |
| SCHEMBL756777 | 0.73 | LIG1 (0.41) | CA12CA1CA2CA4CA7 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114901652-A | Substituted saturated and unsaturated N-heterocyclic carboxamides and related compounds for the treatment of medical disorders | 比亚尔R&D投资股份公司 | 2022-08-12 | — | — | CN | disclosed |
| EP-4031540-A1 | SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS | Bial-R&D Investments, S.A. (PT) | 2022-07-27 | — | — | EP | disclosed |