Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KAT2B | Q92831 | 9/20 | 0.70 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | G6PD | P11413 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL8062252 | 0.82 | KAT2B (0.97) | KAT2BCA12CA1CA9CYP3A4 | |
| SCHEMBL9565234 | 0.82 | KAT2B (0.97) | KAT2BCA12CA1CA9CYP3A4 | |
| SCHEMBL11193788 | 0.82 | KAT2B (0.97) | KAT2BCA12CA1CA9CYP3A4 | |
| SCHEMBL9309681 | 0.79 | KAT2B (0.60) | KAT2BKMT2ACA12CA1CA9 | |
| Hydrochloric Acid SCHEMBL11713957 | 0.79 | KAT2B (0.90) | KAT2BCA12CA1CA9CYP3A4 | |
| Hydrochloric Acid SCHEMBL10496287 | 0.79 | KAT2B (0.90) | KAT2BCA12CA1CA9CYP3A4 | |
| SCHEMBL9255667 | 0.79 | KAT2B (0.69) | KAT2BCA12CA1CA9ALDH1A1 | |
| SCHEMBL11189889 | 0.78 | KAT2B (0.77) | KAT2BCA12CA1CA9CYP3A4 | |
| SCHEMBL21886869 | 0.76 | KAT2B (0.72) | KAT2BCA12CA1CA9CYP3A4 | |
| SCHEMBL8579476 | 0.74 | KAT2B (0.80) | KAT2BCA12CA1CA9CYP3A4 |
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 |