Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | CASP7 | P55210 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3726615 | 0.78 | NPC1 (0.68) | NPC1RAB9AALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL29485612 | 0.78 | NPC1 (0.68) | NPC1RAB9AALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL27569703 | 0.78 | NPC1 (0.65) | NPC1RAB9AALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL29696597 | 0.78 | NPC1 (0.65) | NPC1RAB9AALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL9838799 | 0.76 | ALDH1A1 (0.52) | NPC1RAB9AALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL31121089 | 0.76 | ALDH1A1 (0.52) | NPC1RAB9AALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL7914859 | 0.75 | NPC1 (0.58) | NPC1RAB9AALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL30938000 | 0.75 | NPC1 (0.58) | NPC1RAB9AALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL6034300 | 0.74 | ALDH1A1 (0.46) | NPC1RAB9AALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL6034085 | 0.74 | NR4A2 (0.54) | NPC1RAB9AALDH1A1CYP1A2CYP2C19 |
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-104755473-B | 2,3 benzodiazepine * | 拜耳医药股份有限公司 | 2017-03-08 | — | — | CN | disclosed |
| CN-105492436-A | Substituted phenyl-2,3-benzodiazepines | Bayer Pharma AG | 2016-04-13 | — | — | CN | disclosed |
| CN-104755473-A | 2,3-benzodiazepines | Bayer Pharma AG | 2015-07-01 | — | — | CN | disclosed |