Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 2/20 | 0.45 |
| ▸ | CES2 | O00748 | 3/20 | 0.40 |
| ▸ | CES1 | P23141 | 3/20 | 0.40 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | ASPH | Q12797 | 1/20 | 0.35 |
| ▸ | KDM8 | Q8N371 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | ALB | P02768 | 2/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | DHODH | Q02127 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8462751 | 0.90 | CES2 (0.45) | KEAP1CES2CES1HCAR1KDM4E | |
| SCHEMBL8460400 | 0.79 | CA1 (0.46) | HCAR1KDM4EALDH1A1ALOX15CYP1A2 | |
| SCHEMBL8461449 | 0.77 | AKR1C4 (0.52) | HCAR1KDM4EALDH1A1ALOX15NOTUM | |
| SCHEMBL8463268 | 0.77 | KDM4E (0.50) | HCAR1KDM4EALDH1A1NOTUMMEN1 | |
| SCHEMBL8464012 | 0.77 | AKR1C3 (0.52) | CES2KDM4EALOX15CYP1A2HPGD | |
| SCHEMBL8460863 | 0.77 | PTPRC (0.39) | KDM4EALDH1A1ALOX15CYP1A2HSD17B10 | |
| SCHEMBL8464717 | 0.75 | KDM4E (0.39) | KEAP1CES2CES1HCAR1KDM4E | |
| SCHEMBL8464742 | 0.74 | AKR1C3 (0.42) | AKR1C2AKR1C1 | |
| SCHEMBL8460253 | 0.74 | KEAP1 (0.38) | KEAP1CES2CES1KDM4EASPH | |
| SCHEMBL8460447 | 0.74 | CA1 (0.39) | KEAP1CES2CES1KDM4EASPH |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0745326-B1 | Stabilization of aqueous 3-isothiazolone solutions | ROHM & HAAS (US) | 1999-09-22 | — | — | EP | disclosed |
| US-5594017-A | WITH AN IODOSYL OR IODYL COMPOUND | ROHM AND HAAS COMPANY (US) | 1997-01-14 | — | — | US | disclosed |
| EP-0745326-A1 | Stabilization of aqueous 3-isothiazolone solutions | ROHM AND HAAS COMPANY (US) | 1996-12-04 | — | — | EP | disclosed |