Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.45 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | MMP8 | P22894 | 1/20 | 0.42 |
| ▸ | MMP14 | P50281 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.36 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | LPAR5 | Q9H1C0 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | PLA2G2C | Q5R387 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23837961 | 1.00 | CYP3A4 (0.45) | CYP3A4MMP9MMP8MMP14RECQL | |
| SCHEMBL18545365 | 0.95 | CYP3A4 (0.43) | CYP3A4MMP9MMP8MMP14RECQL | |
| SCHEMBL23837975 | 0.95 | CYP3A4 (0.43) | CYP3A4MMP9MMP8MMP14RECQL | |
| SCHEMBL20053100 | 0.91 | CYP3A4 (0.43) | CYP3A4MMP9MMP8MMP14RECQL | |
| SCHEMBL23837967 | 0.90 | MMP9 (0.41) | CYP3A4MMP9MMP8MMP14RECQL | |
| SCHEMBL23837945 | 0.88 | MMP9 (0.40) | CYP3A4MMP9MMP8MMP14RECQL | |
| SCHEMBL18545357 | 0.88 | MMP9 (0.40) | CYP3A4MMP9MMP8MMP14RECQL | |
| SCHEMBL23837968 | 0.88 | CYP3A4 (0.37) | CYP3A4MMP9MMP8MMP14RECQL | |
| SCHEMBL23837960 | 0.88 | CYP3A4 (0.37) | CYP3A4MMP9MMP8MMP14RECQL | |
| SCHEMBL18545358 | 0.86 | MMP9 (0.40) | CYP3A4MMP9MMP8MMP14RECQL |
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 1 patent. 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 |