Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRAF | P15056 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 3/20 | 0.48 |
| ▸ | CA1 | P00915 | 3/20 | 0.48 |
| ▸ | CA2 | P00918 | 3/20 | 0.48 |
| ▸ | CA7 | P43166 | 3/20 | 0.48 |
| ▸ | CA9 | Q16790 | 3/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.47 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.46 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL16335642 | 1.00 | BRAF (0.48) | BRAFCA12CA1CA2CA7 | |
| SCHEMBL10443684 | 0.87 | CA12 (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL803513 | 0.84 | HTT (0.51) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4179934 | 0.81 | SRD5A1 (0.55) | BRAFCA12CA1CA2CA7 | |
| SCHEMBL13798314 | 0.80 | CA12 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL13790096 | 0.80 | NPC1 (0.41) | BRAFCA12CA1CA2CA7 | |
| SCHEMBL10429668 | 0.79 | SRD5A1 (0.61) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1918550 | 0.77 | MAPT (0.58) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1270478 | 0.76 | L3MBTL1 (0.44) | BRAFCA12CA1CA2CA7 | |
| SCHEMBL1270477 | 0.76 | L3MBTL1 (0.44) | BRAFCA12CA1CA2CA7 |
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-3013808-B1 | ISOTHIAZOLINE COMPOUNDS SUBSTITUTED WITH A CARBOBICYCLIC GROUP | BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) | 2020-04-15 | — | — | EP | disclosed |
| EP-3013808-A1 | ISOTHIAZOLINE COMPOUNDS SUBSTITUTED WITH A CARBOBICYCLIC GROUP | Merial, Inc. (US) | 2016-05-04 | — | — | EP | disclosed |
| WO-2014206908-A1 | ISOTHIAZOLINE COMPOUNDS SUBSTITUTED WITH A CARBOBICYCLIC GROUP | BASF SE (DE) | 2014-12-31 | — | — | WO | disclosed |