Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 5/20 | 0.36 |
| ▸ | TAS1R1 | Q7RTX1 | 5/20 | 0.36 |
| ▸ | TAS1R2 | Q8TE23 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.34 |
| ▸ | DHODH | Q02127 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | HPGDS | O60760 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4701668 | 0.81 | ALDH1A1 (0.39) | TAS1R3TAS1R1ALDH1A1EPHX2OPRM1 | |
| SCHEMBL4702800 | 0.72 | KMT2A (0.40) | TAS1R3TAS1R1ALDH1A1OPRM1OPRK1 | |
| SCHEMBL4702365 | 0.70 | OPRM1 (0.34) | TAS1R3TAS1R1ALDH1A1OPRM1OPRK1 | |
| SCHEMBL6387406 | 0.68 | ALDH1A1 (0.47) | TAS1R3TAS1R1ALDH1A1HPGDS | |
| SCHEMBL4758046 | 0.65 | EPHX2 (0.49) | TAS1R3TAS1R1ALDH1A1EPHX2OPRM1 | |
| SCHEMBL4756002 | 0.63 | ALDH1A1 (0.39) | TAS1R3TAS1R1TAS1R2ALDH1A1OPRM1 | |
| SCHEMBL6388815 | 0.63 | ALDH1A1 (0.36) | TAS1R3TAS1R1TAS1R2ALDH1A1 | |
| SCHEMBL6388812 | 0.63 | ALDH1A1 (0.36) | TAS1R3TAS1R1TAS1R2ALDH1A1 | |
| SCHEMBL6389721 | 0.62 | ROCK2 (0.37) | ALDH1A1 | |
| SCHEMBL4704630 | 0.60 | ALDH1A1 (0.38) | TAS1R3TAS1R1ALDH1A1P2RX7HTT |
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-1458684-B1 | THERAPEUTIC HETEROCYCLES AS BRADYKININ B2 RECEPTOR ANTAGONISTS | ASTRAZENECA AB (SE) | 2008-01-16 | — | — | EP | disclosed |