Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 3/20 | 0.58 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | BLM | P54132 | 1/20 | 0.55 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.51 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.51 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.51 |
| ▸ | SCN1A | P35498 | 1/20 | 0.50 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.50 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL16952192 | 0.82 | CYP2D6 (0.54) | ADRA1AADRA2ACYP2D6MEN1KMT2A | |
| SCHEMBL1759579 | 0.80 | ADRA1A (0.64) | ADRA1AADRA2ACYP2D6MEN1KMT2A | |
| SCHEMBL17388712 | 0.80 | ADRA1A (0.68) | ADRA1AADRA2ACYP2D6MEN1KMT2A | |
| SCHEMBL18287881 | 0.80 | ADRA1A (0.68) | ADRA1AADRA2ACYP2D6MEN1KMT2A | |
| SCHEMBL17320120 | 0.79 | ERN1 (0.44) | ADRA1AADRA2ACYP2D6MEN1KMT2A | |
| SCHEMBL9027230 | 0.78 | ADRA1A (0.69) | ADRA1AADRA2ACYP2D6MEN1KMT2A | |
| SCHEMBL5244460 | 0.78 | CA1 (0.46) | CYP2D6MEN1KMT2AHTTCA1 | |
| SCHEMBL29749251 | 0.78 | CA1 (0.46) | CYP2D6MEN1KMT2AHTTCA1 | |
| SCHEMBL20921416 | 0.75 | AKR1C3 (0.44) | MAPK1HTTLMNAALDH1A1MAPT | |
| SCHEMBL2608975 | 0.75 | ADRA1A (0.75) | ADRA1AADRA2ACYP2D6MEN1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1101044-A | 2-(3-oxoalk(en)yl)-3-isothiazolones and derivatives as antimicrobial agents | ROHM & HAAS (US) | 1995-04-05 | — | — | CN | disclosed |
| 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 |