Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | G6PD | P11413 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.54 |
| ▸ | TP53 | P04637 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | KAT2B | Q92831 | 4/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.33 |
| ▸ | MYC | P01106 | 1/20 | 0.33 |
| ▸ | MAX | P61244 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL9129825 | 0.82 | KAT2B (0.56) | ALDH1A1G6PDHPGDALOX15HSD17B10 | |
| SCHEMBL12397259 | 0.81 | ALDH1A1 (0.49) | ALDH1A1G6PDHPGDALOX15HSD17B10 | |
| SCHEMBL9309507 | 0.77 | ALDH1A1 (0.67) | ALDH1A1G6PDHPGDALOX15HSD17B10 | |
| SCHEMBL8530684 | 0.76 | KAT2B (0.58) | ALDH1A1G6PDHPGDALOX15HSD17B10 | |
| SCHEMBL9132439 | 0.74 | ALDH1A1 (0.57) | ALDH1A1G6PDHPGDALOX15HSD17B10 | |
| SCHEMBL926392 | 0.73 | ALDH1A1 (0.86) | ALDH1A1G6PDHPGDALOX15HSD17B10 | |
| Chloroacetic Acid SCHEMBL9319691 | 0.73 | ALDH1A1 (0.57) | ALDH1A1G6PDHPGDALOX15HSD17B10 | |
| SCHEMBL9319735 | 0.70 | ALDH1A1 (1.00) | ALDH1A1G6PDHPGDALOX15HSD17B10 | |
| SCHEMBL15648 | 0.70 | ALDH1A1 (1.00) | ALDH1A1G6PDHPGDALOX15HSD17B10 | |
| SCHEMBL11192371 | 0.70 | ALDH1A1 (1.00) | ALDH1A1G6PDHPGDALOX15HSD17B10 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0630891-A1 | 3-Isothiazolones derivatives and their use as antimicrobial agents | ROHM AND HAAS COMPANY (US) | 1994-12-28 | — | — | EP | claimed |
| US-5288693-A | Microbiocides | ROHM AND HAAS COMPANY (US) | 1994-02-22 | — | — | US | claimed |
| EP-0630891-A1 | 3-Isothiazolones derivatives and their use as antimicrobial agents | ROHM AND HAAS COMPANY (US) | 1994-12-28 | — | — | EP | disclosed |
| US-5321141-A | Reacting an isothiazole with an a,b-unsaturated ketone or aldehyde | ROHM AND HAAS COMPANY (US) | 1994-06-14 | — | — | US | disclosed |
| US-5288693-A | Microbiocides | ROHM AND HAAS COMPANY (US) | 1994-02-22 | — | — | US | disclosed |