Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | YARS1 | P54577 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 4/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | RECQL | P46063 | 3/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | THPO | P40225 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.42 |
| ▸ | SLC7A5 | Q01650 | 2/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5801572 | 0.82 | EPHX1 (0.58) | EPHX1PTGS1SLC7A5CYP2C19ALPI | |
| Hydrochloric Acid SCHEMBL7314689 | 0.81 | EPHX1 (0.56) | EPHX1PTGS1SLC7A5CYP2C19ALPI | |
| SCHEMBL10483832 | 0.78 | CYP2C19 (0.55) | BLMTDP1KDM4ELMNARECQL | |
| SCHEMBL6340370 | 0.76 | TDP1 (0.43) | BLMTDP1KDM4ELMNARECQL | |
| SCHEMBL28285282 | 0.75 | ALDH1A1 (0.63) | EPHX1L3MBTL1MTNR1AMTNR1B | |
| SCHEMBL3442523 | 0.73 | TDP1 (0.61) | BLMTDP1KDM4ELMNARECQL | |
| SCHEMBL14151111 | 0.72 | ACHE (0.43) | EPHX1 | |
| SCHEMBL6346998 | 0.71 | TDP1 (0.49) | BLMTDP1KDM4ELMNARECQL | |
| SCHEMBL17761381 | 0.71 | TDP1 (0.49) | BLMTDP1KDM4ELMNARECQL | |
| SCHEMBL17761360 | 0.71 | TDP1 (0.49) | BLMTDP1KDM4ELMNARECQL |
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-0333522-A2 | Catechol derivatives and pharmaceutical preparations containing same | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1989-09-20 | — | — | EP | disclosed |