Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR5A | P47898 | 2/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | HTR1D | P28221 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | DRD3 | P35462 | 2/20 | 0.36 |
| ▸ | PIN1 | Q13526 | 3/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | DRD5 | P21918 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6986075 | 1.00 | HTR5A (0.45) | HTR5AADRA2ACHRM2CHRM1CHRM3 | |
| SCHEMBL10841237 | 0.83 | HTR5A (0.42) | HTR5AADRA2AHTR1AHTR1DHTR2C | |
| SCHEMBL10839955 | 0.83 | ALDH1A1 (0.39) | HTR2C | |
| SCHEMBL10841085 | 0.81 | SLC6A2 (0.36) | HTR1A | |
| SCHEMBL10839480 | 0.77 | HTR5A (0.41) | HTR5A | |
| SCHEMBL10840441 | 0.76 | PDE7A (0.37) | — | |
| SCHEMBL10841141 | 0.76 | AHR (0.43) | HTR5AADRA2AHTR2C | |
| SCHEMBL10840955 | 0.76 | HTR5A (0.40) | HTR5AADRA2ADRD2DRD3 | |
| SCHEMBL29789651 | 0.76 | HTR5A (0.40) | HTR5AADRA2ADRD2DRD3 | |
| SCHEMBL6984229 | 0.75 | ALDH1A1 (0.36) | ADRA2AHTR1ADRD1 |
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 |