Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.43 |
| ▸ | DHODH | Q02127 | 1/20 | 0.39 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | HTR2C | P28335 | 2/20 | 0.36 |
| ▸ | HTR2B | P41595 | 2/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | FOS | P01100 | 1/20 | 0.33 |
| ▸ | TTR | P02766 | 1/20 | 0.33 |
| ▸ | JUN | P05412 | 1/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.33 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.33 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 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 | |
|---|---|---|---|---|
| SCHEMBL19446285 | 0.87 | PTGS2 (0.39) | PTGS2DHODHTRPM8 | |
| SCHEMBL12524837 | 0.84 | PTGS2 (0.50) | PTGS2HTR2AHTR2CHTR2BTAAR1 | |
| SCHEMBL19446284 | 0.81 | PTGS2 (0.47) | PTGS2HTR2AHTR2CHTR2BTAAR1 | |
| SCHEMBL15599161 | 0.78 | S1PR1 (0.40) | DHODHS1PR1 | |
| SCHEMBL10175179 | 0.77 | TRPM8 (0.40) | TRPM8S1PR1 | |
| SCHEMBL19446171 | 0.77 | PTGS2 (0.43) | PTGS2HTR2AHTR2CHTR2B | |
| SCHEMBL188880 | 0.76 | TRPM8 (0.39) | TRPM8HTR2ATAAR1S1PR1 | |
| SCHEMBL10141662 | 0.76 | TRPM8 (0.39) | TRPM8S1PR1 | |
| SCHEMBL19446232 | 0.75 | PTGS2 (0.38) | PTGS2 | |
| SCHEMBL28484587 | 0.75 | ABL1 (0.36) | — |
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-2516417-B1 | ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE | VERTEX PHARMA (US) | 2017-10-11 | — | — | EP | disclosed |