Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.30 |
| ▸ | CASP7 | P55210 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL6695939 | 0.78 | CYP2D6 (0.44) | CYP2D6CYP1A2ALDH1A1HSD17B10KDM4E | |
| SCHEMBL8608408 | 0.77 | ALOX15 (0.47) | CYP2D6ALDH1A1HSD17B10KDM4EHPGD | |
| SCHEMBL1892536 | 0.75 | CYP2D6 (0.38) | CYP2D6CYP1A2ALDH1A1HSD17B10KDM4E | |
| SCHEMBL29010656 | 0.74 | CYP2D6 (0.37) | CYP2D6CYP1A2ALDH1A1HSD17B10KDM4E | |
| SCHEMBL8523124 | 0.72 | CYP2D6 (0.36) | CYP2D6CYP1A2ALDH1A1HSD17B10KDM4E | |
| SCHEMBL8462610 | 0.70 | HSD17B10 (0.59) | ALDH1A1HSD17B10KDM4EHPGD | |
| SCHEMBL8606672 | 0.70 | ALDH1A1 (0.57) | CYP2D6CYP1A2ALDH1A1HSD17B10KDM4E | |
| SCHEMBL8606449 | 0.68 | HSD17B10 (0.42) | CYP2D6CYP1A2ALDH1A1HSD17B10KDM4E | |
| SCHEMBL30705724 | 0.68 | HSD17B10 (0.42) | CYP2D6CYP1A2ALDH1A1HSD17B10KDM4E | |
| SCHEMBL8522786 | 0.68 | ALDH1A1 (0.46) | ALDH1A1HSD17B10KDM4EHPGDALOX15 |
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 |