Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | CTSG | P08311 | 3/20 | 0.33 |
| ▸ | CMA1 | P23946 | 3/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 3/20 | 0.32 |
| ▸ | MMP2 | P08253 | 2/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.31 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.30 |
| ▸ | PARL | Q9H300 | 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 | |
|---|---|---|---|---|
| SCHEMBL27807878 | 0.83 | CYP3A4 (0.35) | CYP2D6CYP3A4CYP2C9CYP2C19CTSG | |
| SCHEMBL27807885 | 0.78 | CTSG (0.33) | CYP2D6CTSGCMA1MCL1PKM | |
| SCHEMBL27807880 | 0.74 | PKM (0.30) | CYP2C9PKMMMP2 | |
| SCHEMBL27807884 | 0.67 | MCL1 (0.30) | MCL1 | |
| SCHEMBL1348740 | 0.67 | CMA1 (0.45) | CTSGCMA1MCL1PKMAKR1C3 | |
| SCHEMBL28787377 | 0.67 | PKM (0.37) | CYP3A4CYP2C9CYP2C19CTSGCMA1 | |
| SCHEMBL1348640 | 0.64 | CMA1 (0.44) | CTSGCMA1MCL1AKR1C3AKR1C1 | |
| SCHEMBL1348608 | 0.64 | MCL1 (0.43) | CTSGCMA1MCL1PKMAKR1C3 | |
| SCHEMBL1348509 | 0.63 | PKM (0.37) | CTSGCMA1MCL1PKMMMP2 | |
| SCHEMBL27807891 | 0.63 | ALDH1A1 (0.38) | CYP3A4CYP2C9CYP2C19PKMALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102056902-B | Imidazolidine derivatives | HOFFMANN LA ROCHE | 2013-08-07 | — | — | CN | claimed |
| CN-102056902-A | Imidazolidine derivatives | HOFFMANN LA ROCHE | 2011-05-11 | — | — | CN | claimed |
| CN-102056902-B | Imidazolidine derivatives | HOFFMANN LA ROCHE | 2013-08-07 | — | — | CN | disclosed |
| CN-102056902-A | Imidazolidine derivatives | HOFFMANN LA ROCHE | 2011-05-11 | — | — | CN | disclosed |