Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGLL | Q99685 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 5/20 | 0.44 |
| ▸ | CA1 | P00915 | 5/20 | 0.44 |
| ▸ | CA9 | Q16790 | 5/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | KDM5A | P29375 | 3/20 | 0.38 |
| ▸ | PHF8 | Q9UPP1 | 3/20 | 0.38 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.38 |
| ▸ | ZDHHC20 | Q5W0Z9 | 2/20 | 0.38 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28212587 | 1.00 | MGLL (0.46) | MGLLCA12CA1CA9CA2 | |
| SCHEMBL10341598 | 0.92 | CA12 (0.44) | MGLLCA12CA1CA9CA2 | |
| SCHEMBL5712587 | 0.92 | CA12 (0.44) | MGLLCA12CA1CA9CA2 | |
| SCHEMBL11315449 | 0.92 | CA12 (0.44) | MGLLCA12CA1CA9CA2 | |
| SCHEMBL30181752 | 0.86 | CA12 (0.39) | MGLLCA12CA1CA9CA2 | |
| SCHEMBL28551737 | 0.84 | KDM5A (0.49) | CA12CA1CA9CA2CYP1A2 | |
| SCHEMBL28728183 | 0.84 | CA12 (0.40) | MGLLCA12CA1CA9CA2 | |
| SCHEMBL28728398 | 0.84 | CA12 (0.40) | MGLLCA12CA1CA9CA2 | |
| SCHEMBL28938901 | 0.84 | CA12 (0.40) | MGLLCA12CA1CA9CA2 | |
| SCHEMBL28201517 | 0.81 | MGLL (0.48) | MGLLCA12CA1CA9CA2 |
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-0410726-B1 | S-SUBSTITUTED BETA-THIOACRYLAMIDES AND THEIR USE AS MICROBICIDES | ROHM AND HAAS COMPANY (US) | 1993-09-01 | — | — | EP | disclosed |
| US-5118681-A | Bactericides | ROHM AND HAAS COMPANY (US) | 1992-06-02 | — | — | US | disclosed |
| EP-0410726-A1 | S-substituted beta-thioacrylamides and their use as microbicides | ROHM AND HAAS COMPANY (US) | 1991-01-30 | — | — | EP | disclosed |