Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.41 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.41 |
| ▸ | MYC | P01106 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29517020 | 0.80 | ALDH1A1 (0.59) | ALDH1A1ALOX15KDM4EHPGDHSD17B10 | |
| SCHEMBL23476 | 0.80 | ALDH1A1 (0.59) | ALDH1A1ALOX15KDM4EHPGDHSD17B10 | |
| SCHEMBL23288 | 0.79 | ALDH1A1 (0.63) | ALDH1A1ALOX15KDM4EHPGDHSD17B10 | |
| SCHEMBL711798 | 0.79 | ALDH1A1 (0.63) | ALDH1A1ALOX15KDM4EHPGDHSD17B10 | |
| Ammonia Solution, Strong SCHEMBL29433157 | 0.78 | ALDH1A1 (0.56) | ALDH1A1ALOX15KDM4EHPGDHSD17B10 | |
| Water SCHEMBL713566 | 0.77 | ALDH1A1 (0.60) | ALDH1A1ALOX15KDM4EHPGDHSD17B10 | |
| SCHEMBL10454889 | 0.77 | ALDH1A1 (0.60) | ALDH1A1ALOX15KDM4EHPGDHSD17B10 | |
| SCHEMBL723062 | 0.77 | ALDH1A1 (0.60) | ALDH1A1ALOX15KDM4EHPGDHSD17B10 | |
| SCHEMBL1535448 | 0.77 | ALDH1A1 (0.60) | ALDH1A1ALOX15KDM4EHPGDHSD17B10 | |
| Hydrochloric Acid SCHEMBL3459326 | 0.77 | ALDH1A1 (0.60) | ALDH1A1ALOX15KDM4EHPGDHSD17B10 |
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 |