Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.66 |
| ▸ | CA9 | Q16790 | 2/20 | 0.66 |
| ▸ | MGLL | Q99685 | 2/20 | 0.66 |
| ▸ | CA1 | P00915 | 1/20 | 0.66 |
| ▸ | CA2 | P00918 | 1/20 | 0.66 |
| ▸ | NPC1 | O15118 | 3/20 | 0.57 |
| ▸ | RAB9A | P51151 | 3/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.50 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27773041 | 0.84 | CA12 (0.68) | CA12CA9MGLLCA1CA2 | |
| SCHEMBL10262049 | 0.83 | CA12 (0.66) | CA12CA9MGLLCA1CA2 | |
| SCHEMBL9754011 | 0.81 | CA12 (0.63) | CA12CA9MGLLCA1CA2 | |
| SCHEMBL6341789 | 0.81 | CA12 (0.63) | CA12CA9MGLLCA1CA2 | |
| Potassium Ion SCHEMBL23042461 | 0.79 | CA12 (0.92) | CA12CA9MGLLCA1CA2 | |
| SCHEMBL8465131 | 0.79 | MGLL (1.00) | CA12CA9MGLLCA1CA2 | |
| Zinc Ion SCHEMBL2921237 | 0.79 | CA12 (0.92) | CA12CA9MGLLCA1CA2 | |
| SCHEMBL11774471 | 0.79 | CA12 (0.61) | CA12CA9MGLLCA1CA2 | |
| SCHEMBL16628497 | 0.78 | MGLL (0.76) | CA12CA9MGLLCA1CA2 | |
| SCHEMBL11528266 | 0.78 | CA12 (0.59) | CA12CA9MGLLCA1CA2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0031705-B1 | SUBSTITUTED 3-ISOTHIAZOLONES, SALTS AND METAL SALT COMPLEXES THEREOF, COMPOSITIONS CONTAINING THEM AND THEIR USE FOR COMBATING BACTERIA, ALGAE AND FUNGI | ROHM AND HAAS COMPANY (US) | 1984-03-21 | — | — | EP | disclosed |
| EP-0031705-A1 | Substituted 3-isothiazolones, salts and metal salt complexes thereof, compositions containing them and their use for combating bacteria, algae and fungi | ROHM AND HAAS COMPANY (US) | 1981-07-08 | — | — | EP | disclosed |