Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | MMP8 | P22894 | 1/20 | 0.40 |
| ▸ | MMP14 | P50281 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.31 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9927996 | 0.97 | CYP3A4 (0.45) | CYP3A4MMP9MMP8MMP14USP2 | |
| SCHEMBL9927968 | 0.97 | CYP3A4 (0.45) | CYP3A4MMP9MMP8MMP14USP2 | |
| SCHEMBL9927972 | 0.97 | CYP3A4 (0.45) | CYP3A4MMP9MMP8MMP14USP2 | |
| SCHEMBL9927978 | 0.97 | CYP3A4 (0.45) | CYP3A4MMP9MMP8MMP14USP2 | |
| SCHEMBL23837954 | 0.94 | CYP3A4 (0.43) | CYP3A4MMP9MMP8MMP14USP2 | |
| SCHEMBL12269731 | 0.94 | CYP3A4 (0.43) | CYP3A4MMP9MMP8MMP14USP2 | |
| SCHEMBL9927990 | 0.94 | CYP3A4 (0.43) | CYP3A4MMP9MMP8MMP14USP2 | |
| SCHEMBL9927995 | 0.94 | CYP3A4 (0.43) | CYP3A4MMP9MMP8MMP14USP2 | |
| SCHEMBL9928023 | 0.94 | CYP3A4 (0.43) | CYP3A4MMP9MMP8MMP14USP2 | |
| SCHEMBL23837952 | 0.93 | CYP3A4 (0.42) | CYP3A4MMP9MMP8MMP14USP2 |
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 |