Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.39 |
| ▸ | CXCL8 | P10145 | 4/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.36 |
| ▸ | TPMT | P51580 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CAMK2A | Q9UQM7 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.33 |
| ▸ | UGT1A9 | O60656 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.33 |
| ▸ | TTR | P02766 | 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 | |
|---|---|---|---|---|
| SCHEMBL8464582 | 0.91 | PTGS2 (0.42) | KEAP1NFE2L2ALDH1A1HPGDHSD17B10 | |
| SCHEMBL8464341 | 0.82 | POLB (0.50) | ALDH1A1HPGDHSD17B10CYP2C9AKR1B1 | |
| SCHEMBL8460359 | 0.80 | TSHR (0.40) | HSD17B10CXCL8AKR1B1 | |
| SCHEMBL8463501 | 0.80 | AKR1B1 (0.36) | ALDH1A1HPGDHSD17B10CXCL8CYP2C9 | |
| SCHEMBL8459629 | 0.80 | HPGD (0.44) | HPGDHSD17B10PTGS2AKR1B1TPMT | |
| SCHEMBL8462903 | 0.80 | AKR1B1 (0.36) | ALDH1A1HSD17B10PTGS2AKR1B1MAPT | |
| SCHEMBL8460216 | 0.77 | POLB (0.42) | ALDH1A1HPGDHSD17B10AKR1B1MAPT | |
| SCHEMBL8460430 | 0.77 | AKR1B1 (0.42) | KEAP1NFE2L2PTGS2CXCL8CYP2C9 | |
| SCHEMBL8461777 | 0.76 | PTGS1 (0.57) | ALDH1A1AKR1B1PTGS1 | |
| SCHEMBL8462558 | 0.76 | KEAP1 (0.47) | KEAP1NFE2L2HPGDHSD17B10PTGS2 |
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 |