Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16710539 | 0.81 | HTT (0.56) | HTTCYP3A4USP2CYP1A2CYP2C19 | |
| SCHEMBL20052036 | 0.81 | KDM4E (0.35) | — | |
| SCHEMBL25882385 | 0.80 | USP2 (0.36) | HTTUSP2 | |
| SCHEMBL13484060 | 0.79 | USP2 (0.40) | HTTCYP3A4USP2CYP1A2CYP2C19 | |
| SCHEMBL13790799 | 0.77 | USP2 (0.39) | HTTCYP3A4USP2CYP1A2CYP2C19 | |
| SCHEMBL9927969 | 0.77 | KDM4E (0.39) | HTTCYP3A4USP2CYP1A2CYP2C19 | |
| SCHEMBL29179076 | 0.76 | USP2 (0.43) | HTTCYP3A4USP2CYP1A2CYP2C19 | |
| SCHEMBL430465 | 0.76 | USP2 (0.55) | HTTCYP3A4USP2CYP1A2CYP2C19 | |
| SCHEMBL13978960 | 0.76 | USP2 (0.42) | HTTCYP3A4USP2CYP1A2CYP2C19 | |
| SCHEMBL9927987 | 0.75 | HTT (0.40) | HTTCYP3A4USP2CYP1A2CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-9944534-B2 | Reducing aluminosilicate scale in the Bayer process | ECOLAB USA INC. (US) | 2018-04-17 | — | — | US | disclosed |
| US-9944534-B2 | Reducing aluminosilicate scale in the Bayer process | ECOLAB USA INC. (US) | 2018-04-17 | — | — | US | disclosed |