Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 6/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.37 |
| ▸ | KCNA5 | P22460 | 4/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.37 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27792211 | 0.92 | MAOA (0.33) | CYP2D6KCNH2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL27776265 | 0.86 | CYP1A2 (0.50) | CYP2D6KCNH2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL27976637 | 0.86 | CYP2D6 (0.46) | CYP2D6KCNH2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL27704299 | 0.84 | CYP1A2 (0.52) | CYP2D6KCNH2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL27627412 | 0.84 | CYP1A2 (0.52) | CYP2D6KCNH2CYP1A2CYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL27922707 | 0.83 | CYP1A2 (0.50) | CYP2D6KCNH2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL17956885 | 0.81 | CYP2D6 (0.34) | CYP2D6KCNH2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL27889146 | 0.81 | ALDH1A1 (0.47) | CYP3A4KCNA5CYP2C19LMNAALDH1A1 | |
| SCHEMBL27484196 | 0.81 | MEN1 (0.54) | CYP2D6KCNH2KMT2AMEN1CHRM2 | |
| SCHEMBL17956844 | 0.81 | CYP2D6 (0.32) | CYP2D6KCNH2CYP1A2CYP3A4CYP2C9 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105451773-A | Cell proliferation inhibitors and conjugates thereof | NOVARTIS AG | 2016-03-30 | — | — | CN | disclosed |
| CN-1902195-B | Cell adhesion modulators | SARCODE BIOSCIENCE INC. (US) | 2016-03-23 | — | — | CN | disclosed |
| CN-101001842-B | Amido compounds and the application as medicine thereof | INCYTE CORP. (US) | 2015-10-07 | — | — | CN | disclosed |
| CN-103804371-A | Chemical compounds 251 | ASTRAZENECA AB | 2014-05-21 | — | — | CN | disclosed |
| CN-102137666-B | Compound 251 | ASTRAZENECA AB | 2014-03-12 | — | — | CN | disclosed |
| CN-102844307-A | Triazole compounds as ksp inhibitors | NOVARTIS AG | 2012-12-26 | — | — | CN | disclosed |
| CN-102137666-A | Compound 251 | ASTRAZENECA AB | 2011-07-27 | — | — | CN | disclosed |
| CN-101001842-A | Amido compounds and their use as pharmaceuticals | INCYTE CORP (US) | 2007-07-18 | — | — | CN | disclosed |
| CN-1902195-A | Cell adhesion modulators | SUNESIS PHARMACEUTICALS INC (US) | 2007-01-24 | — | — | CN | disclosed |