Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | PNP | P00491 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28821279 | 0.75 | ALOX5 (0.38) | ALDH1A1ALOX5CYP3A4ALOX15TSHR | |
| SCHEMBL15366561 | 0.73 | CHRM2 (0.36) | ALDH1A1ALOX5CYP3A4ALOX15TSHR | |
| SCHEMBL29051227 | 0.72 | ALDH1A1 (0.41) | ALDH1A1ALOX5CYP3A4ALOX15TSHR | |
| SCHEMBL28870470 | 0.72 | TDP1 (0.45) | ALDH1A1ALOX5ALOX15TSHRPOLB | |
| SCHEMBL7469749 | 0.71 | — | — | |
| SCHEMBL1404275 | 0.71 | CHRM2 (0.46) | ALDH1A1ALOX5CYP3A4ALOX15TSHR | |
| SCHEMBL7295414 | 0.68 | PRKCI (0.30) | — | |
| SCHEMBL348694 | 0.66 | — | — | |
| SCHEMBL7364036 | 0.66 | MEN1 (0.38) | ALDH1A1ALOX5CYP3A4ALOX15TSHR | |
| SCHEMBL3838382 | 0.66 | CYP3A4 (0.43) | ALDH1A1ALOX5CYP3A4ALOX15TSHR |
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-0004952-B1 | SPIRO-(DIHYDROBENZOFURANPIPERIDINES AND -PYRROLIDINES) AND DERIVATIVES THEREOF, METHODS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM | HOECHST AKTIENGESELLSCHAFT (DE) | 1982-04-07 | — | — | EP | claimed |