Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.43 |
| ▸ | TEAD1 | P28347 | 1/20 | 0.41 |
| ▸ | MLNR | O43193 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 5/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | PHGDH | O43175 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | CCR2 | P41597 | 1/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.38 |
| ▸ | LIPE | Q05469 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 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 | |
|---|---|---|---|---|
| SCHEMBL22605800 | 0.91 | MLNR (0.50) | SIGMAR1TEAD1MLNREPHX2LIPE | |
| SCHEMBL28528419 | 0.80 | SIGMAR1 (0.44) | SIGMAR1TEAD1MLNRMAPTPHGDH | |
| SCHEMBL22588179 | 0.78 | MLNR (0.54) | SIGMAR1TEAD1MLNREPHX2LIPE | |
| SCHEMBL31285860 | 0.78 | MLNR (0.54) | SIGMAR1TEAD1MLNREPHX2LIPE | |
| SCHEMBL22605589 | 0.72 | MLNR (0.54) | SIGMAR1TEAD1MLNREPHX2LIPE | |
| Phenylacetic Acid SCHEMBL27769959 | 0.72 | OPRM1 (0.47) | MAPTBRD4 | |
| SCHEMBL542496 | 0.72 | KMT2A (0.50) | MAPT | |
| SCHEMBL31285937 | 0.72 | MLNR (0.53) | SIGMAR1TEAD1MLNREPHX2LIPE | |
| SCHEMBL22588174 | 0.72 | MLNR (0.53) | SIGMAR1TEAD1MLNREPHX2LIPE | |
| SCHEMBL852155 | 0.71 | OPRM1 (0.54) | SIGMAR1 |
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-2020216378-A1 | HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME | 健艾仕生物医药有限公司 | 2020-10-29 | — | — | WO | disclosed |