Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.55 |
| ▸ | BLM | P54132 | 5/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | RECQL | P46063 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | THPO | P40225 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.46 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.45 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1383474 | 0.84 | CYP2C19 (0.67) | CYP2C19TDP1LMNAMAPK1POLB | |
| Hydrochloric Acid SCHEMBL29096814 | 0.82 | CYP2C19 (0.65) | CYP2C19TDP1LMNAMAPK1POLB | |
| Hydrochloric Acid SCHEMBL5011439 | 0.82 | CYP2C19 (0.65) | CYP2C19TDP1LMNAMAPK1POLB | |
| SCHEMBL15614610 | 0.80 | TNF (0.56) | CYP2C19SLC6A2CYP3A4CYP2D6SLC6A3 | |
| SCHEMBL29031805 | 0.79 | CYP2C19 (0.57) | CYP2C19LMNAKDM4EMAPK1DRD3 | |
| SCHEMBL10483825 | 0.78 | EPHX1 (0.44) | CYP2C19BLMTDP1LMNAKDM4E | |
| SCHEMBL3911220 | 0.77 | CYP2C19 (0.67) | CYP2C19LMNAPOLBMEN1KMT2A | |
| SCHEMBL3442523 | 0.77 | TDP1 (0.61) | CYP2C19BLMTDP1LMNAKDM4E | |
| SCHEMBL29184115 | 0.76 | TNF (0.59) | CYP2C19TDP1LMNAMAPTPOLB | |
| SCHEMBL6346998 | 0.76 | TDP1 (0.49) | BLMTDP1LMNAKDM4ERECQL |
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 |