Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | SRC | P12931 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 3/20 | 0.41 |
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ACP3 | P15309 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7955519 | 0.86 | SRC (0.50) | CYP2D6SRCLMNAL3MBTL1ATM | |
| SCHEMBL195532 | 0.86 | SRC (0.50) | CYP2D6SRCLMNAL3MBTL1ATM | |
| SCHEMBL4026079 | 0.86 | SRC (0.50) | CYP2D6SRCLMNAL3MBTL1ATM | |
| SCHEMBL1483540 | 0.84 | EPHX1 (0.46) | CYP2D6SRCLMNAL3MBTL1ATM | |
| SCHEMBL29773675 | 0.84 | SRC (0.48) | CYP2D6SRCLMNAL3MBTL1ATM | |
| SCHEMBL6971672 | 0.84 | CYP2D6 (0.43) | CYP2D6SRCLMNAL3MBTL1ATM | |
| Hydrochloric Acid SCHEMBL2529822 | 0.84 | SRC (0.48) | CYP2D6SRCLMNAL3MBTL1ATM | |
| SCHEMBL12458246 | 0.83 | ATM (0.44) | CYP2D6SRCLMNAL3MBTL1ATM | |
| SCHEMBL9153046 | 0.83 | CYP2D6 (0.41) | CYP2D6SRCLMNAL3MBTL1ATM | |
| SCHEMBL8671904 | 0.83 | ATM (0.44) | CYP2D6SRCLMNAL3MBTL1ATM |
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 |
|---|---|---|---|---|---|---|---|
| CN-107922337-A | ROR gamma modulators | 领先制药控股公司 | 2018-04-17 | — | — | CN | disclosed |
| CN-105418529-A | 4-nitryl isoxazole trifluoromethyl tertiary alcohol containing compound and preparation method thereof | UNIV SHANGQIU NORMAL | 2016-03-23 | — | — | CN | disclosed |
| CN-102014635-B | Difluoro-containing compounds as cysteine protease inhibitors | VIROBAY, INC. (US) | 2015-12-16 | — | — | CN | disclosed |