Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.37 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.37 |
| ▸ | ANPEP | P15144 | 1/20 | 0.32 |
| ▸ | ENPEP | Q07075 | 1/20 | 0.32 |
| ▸ | FAAH | O00519 | 2/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.32 |
| ▸ | ADH1B | P00325 | 2/20 | 0.32 |
| ▸ | ADH1A | P07327 | 2/20 | 0.32 |
| ▸ | ADH7 | P40394 | 2/20 | 0.32 |
| ▸ | ADH1C | P00326 | 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 | |
|---|---|---|---|---|
| SCHEMBL22994936 | 0.91 | ANPEP (0.37) | ALDH1A1TSHRANPEPENPEPADH1B | |
| SCHEMBL18019738 | 0.80 | ANPEP (0.39) | ANPEPENPEP | |
| SCHEMBL8235653 | 0.80 | — | — | |
| SCHEMBL21705905 | 0.77 | — | — | |
| SCHEMBL386314 | 0.77 | TAS1R3 (0.33) | TAS1R3TAS1R1 | |
| SCHEMBL24115857 | 0.76 | TAS1R3 (0.36) | TAS1R3TAS1R1ANPEPENPEP | |
| SCHEMBL10048338 | 0.76 | ADH1B (0.44) | TAS1R3TAS1R1ADH1BADH1AADH7 | |
| SCHEMBL14376737 | 0.75 | ANPEP (0.63) | TSHRANPEPENPEP | |
| SCHEMBL23010957 | 0.72 | — | — | |
| SCHEMBL24594894 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010027097-A1 | TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2010-03-11 | — | — | WO | disclosed |