Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8931177 | 0.88 | PTGS1 (0.32) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL5674934 | 0.84 | PTGS1 (0.42) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL8532757 | 0.84 | PTGS1 (0.42) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL5674769 | 0.84 | PTGS1 (0.42) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL8532967 | 0.69 | TSHR (0.36) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL5674852 | 0.69 | TSHR (0.36) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL5671989 | 0.69 | TSHR (0.36) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL8868305 | 0.68 | PTGS1 (0.30) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| Hydrochloric Acid SCHEMBL8931170 | 0.66 | GMNN (0.32) | CYP3A4TSHR | |
| Hydrochloric Acid SCHEMBL8867577 | 0.65 | GMNN (0.31) | CYP3A4TSHR |
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-0635009-B1 | NOVEL DERIVATIVES OF 2,3-DIHYDRO-2,2,4,6,7-PENTAALKYL-5-BENZOFURANOLS | MERRELL PHARMA INC (US) | 1997-09-17 | — | — | EP | claimed |