Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.54 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | BCHE | P06276 | 15/20 | 0.51 |
| ▸ | ACHE | P22303 | 15/20 | 0.51 |
| ▸ | PSEN1 | P49768 | 3/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL9314319 | 1.00 | PTGS1 (0.54) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL16433387 | 0.97 | PTGS1 (0.55) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL2059199 | 0.91 | PTGS1 (0.61) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL9314334 | 0.91 | PTGS1 (0.61) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL16247653 | 0.91 | PTGS1 (0.61) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL15137470 | 0.89 | PTGS1 (0.64) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL2059215 | 0.84 | PTGS1 (0.67) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL2059279 | 0.82 | PTGS1 (0.61) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL2059293 | 0.82 | PTGS1 (0.61) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL2058872 | 0.82 | PTGS1 (0.64) | PTGS1PTGS2CYP1A2CYP3A4TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5318987-A | Used for prophylaxis and treats coronary, circulatory and vascular diseases | HOECHST AKTIENGESELLSCHAFT (DE) | 1994-06-07 | — | — | US | disclosed |
| EP-0436936-A2 | Lipid selective anti-oxidants, their production and use | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-07-17 | — | — | EP | disclosed |