Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9768806 | 0.82 | CYP2D6 (0.56) | TP53ALDH1A1MAPK1CHRM2HTR1A | |
| SCHEMBL7811781 | 0.78 | MEN1 (0.35) | TP53ALDH1A1CA2CA9SLC6A4 | |
| SCHEMBL909935 | 0.78 | ALDH1A1 (0.53) | TP53ALDH1A1MAPK1CHRM2HTR1A | |
| SCHEMBL5710968 | 0.78 | ALDH1A1 (0.53) | TP53ALDH1A1MAPK1CHRM2HTR1A | |
| SCHEMBL30634566 | 0.78 | ALDH1A1 (0.53) | TP53ALDH1A1MAPK1CHRM2HTR1A | |
| SCHEMBL10421052 | 0.75 | HDAC3 (0.41) | ALDH1A1MAPK1CHRM2CHRM1DRD2 | |
| SCHEMBL7604561 | 0.73 | SLC6A1 (0.55) | — | |
| Pretiadil SCHEMBL2734627 | 0.73 | SIGMAR1 (0.49) | ALDH1A1MAPK1CHRM2HTR1AADRA2A | |
| Hydrochloric Acid SCHEMBL7815470 | 0.72 | SLC6A1 (0.54) | — | |
| SCHEMBL14281166 | 0.71 | RXFP1 (0.61) | TP53HTR1AHTR2AMEN1KMT2A |
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-0869954-B1 | HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF NEUROGENIC INFLAMMATION | NOVO NORDISK AS (DK) | 2001-09-19 | — | — | EP | disclosed |