Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL295603 | 0.83 | CYP1A2 (0.44) | CYP1A2ALDH1A1ALOX15 | |
| SCHEMBL8463936 | 0.77 | HMGB1 (0.38) | ALDH1A1ALOX15 | |
| SCHEMBL8459536 | 0.74 | KLKB1 (0.34) | ALDH1A1 | |
| SCHEMBL8463288 | 0.72 | CYP1A2 (0.34) | CYP1A2ALDH1A1ALOX15 | |
| SCHEMBL8070216 | 0.69 | CYP1A2 (0.34) | CYP1A2ALDH1A1ALOX15 | |
| SCHEMBL9355802 | 0.68 | CYP1A2 (0.33) | CYP1A2 | |
| SCHEMBL8460824 | 0.66 | ALDH1A1 (0.55) | CYP1A2ALDH1A1ALOX15 | |
| SCHEMBL8463275 | 0.66 | CYP1A2 (0.42) | CYP1A2ALDH1A1ALOX15 | |
| SCHEMBL28539841 | 0.64 | KDM4E (0.44) | CYP1A2ALDH1A1 | |
| SCHEMBL8523178 | 0.63 | AKR1B1 (0.42) | CYP1A2 |
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 |