Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA4 | P22748 | 2/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 3/20 | 0.34 |
| ▸ | CES1 | P23141 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ASPH | Q12797 | 2/20 | 0.34 |
| ▸ | KDM8 | Q8N371 | 2/20 | 0.34 |
| ▸ | ALB | P02768 | 1/20 | 0.32 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.32 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8460253 | 0.85 | KEAP1 (0.38) | CA1CA2CA4KEAP1NFE2L2 | |
| SCHEMBL8460712 | 0.85 | KEAP1 (0.38) | CA1CA2CA4KEAP1NFE2L2 | |
| SCHEMBL5341471 | 0.78 | CA1 (0.46) | CA1CA2CA4KEAP1NFE2L2 | |
| SCHEMBL8462540 | 0.76 | THRB (0.39) | CA1CA2CA4KDM4EALB | |
| SCHEMBL31041213 | 0.74 | KEAP1 (0.44) | CA1CA2CA4KEAP1NFE2L2 | |
| SCHEMBL5336692 | 0.74 | KEAP1 (0.44) | CA1CA2CA4KEAP1NFE2L2 | |
| SCHEMBL8462420 | 0.74 | KEAP1 (0.45) | CA1CA2KEAP1NFE2L2CES2 | |
| SCHEMBL8462751 | 0.73 | CES2 (0.45) | CA1CA2KEAP1NFE2L2CES2 | |
| SCHEMBL503507 | 0.73 | CA1 (0.61) | CA1CA2CA4KEAP1NFE2L2 | |
| SCHEMBL8464717 | 0.72 | KDM4E (0.39) | CA1CA2CA4KEAP1NFE2L2 |
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 |