Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.64 |
| ▸ | BLM | P54132 | 1/20 | 0.62 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.62 |
| ▸ | CDK8 | P49336 | 1/20 | 0.61 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.61 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.60 |
| ▸ | MEN1 | O00255 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL14276933 | 0.86 | CYP3A4 (0.66) | CYP1A2CYP3A4CYP2D6BLMPMP22 | |
| SCHEMBL10879740 | 0.84 | CDK8 (0.67) | CYP1A2CYP3A4CYP2D6BLMPMP22 | |
| SCHEMBL14679320 | 0.82 | CYP3A4 (0.60) | CYP1A2CYP3A4CYP2D6BLMPMP22 | |
| SCHEMBL10426074 | 0.81 | KMT2A (0.60) | CYP1A2CYP3A4CYP2D6BLMPMP22 | |
| SCHEMBL2745736 | 0.80 | AOC3 (0.58) | CYP1A2CYP3A4CYP2D6BLMPMP22 | |
| SCHEMBL2745735 | 0.80 | AOC3 (0.58) | CYP1A2CYP3A4CYP2D6BLMPMP22 | |
| SCHEMBL10118317 | 0.79 | CYP1A2 (0.79) | CYP1A2CYP3A4CYP2D6BLMPMP22 | |
| SCHEMBL7430428 | 0.79 | CYP1A2 (1.00) | CYP1A2CYP3A4CYP2D6BLMPMP22 | |
| SCHEMBL9717812 | 0.78 | KMT2A (0.56) | CYP1A2CYP3A4CYP2D6BLMPMP22 | |
| SCHEMBL3999705 | 0.78 | CDK8 (0.74) | CYP1A2CYP3A4CYP2D6BLMPMP22 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010044054-A1 | PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES | ACTELION PHARMACEUTICALS LTD (CH) | 2010-04-22 | — | — | WO | claimed |
| WO-2010044054-A1 | PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES | ACTELION PHARMACEUTICALS LTD (CH) | 2010-04-22 | — | — | WO | disclosed |