Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 2/20 | 0.56 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | XDH | P47989 | 1/20 | 0.47 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.46 |
| ▸ | TDO2 | P48775 | 1/20 | 0.46 |
| ▸ | KCNA5 | P22460 | 3/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.45 |
| ▸ | RORC | P51449 | 1/20 | 0.44 |
| ▸ | RORB | Q92753 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.44 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL473595 | 0.81 | ALDH1A1 (0.59) | KMOPIN1POLBALDH1A1SMN1; SMN2 | |
| SCHEMBL27827780 | 0.81 | KMO (0.54) | KMOPIN1NPC1ATMPOLB | |
| SCHEMBL8400098 | 0.78 | PIN1 (0.52) | KMOPIN1NPC1POLBALDH1A1 | |
| SCHEMBL8936345 | 0.78 | KMO (0.54) | KMOPIN1ALDH1A1SMN1; SMN2XDH | |
| SCHEMBL1340669 | 0.77 | KDM4E (0.53) | PIN1ATMALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL319166 | 0.77 | MCL1 (0.46) | KMOATMPOLBALDH1A1KMT2A | |
| SCHEMBL2057011 | 0.77 | KMO (0.52) | KMOPIN1ALDH1A1KMT2AMEN1 | |
| SCHEMBL14149905 | 0.77 | ATM (0.60) | KMONPC1ATMALDH1A1KDM4E | |
| SCHEMBL9002267 | 0.77 | RORB (0.56) | KMOPOLBALDH1A1TDO2KCNA5 | |
| SCHEMBL7673510 | 0.75 | MAPK14 (0.57) | NPC1TDO2KCNA5KCNH2ADORA2A |
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-102164896-A | Phenethylamide derivatives and their heterocyclic analogues | ACTELION PHARMACEUTICALS LTD | 2011-08-24 | — | — | CN | claimed |
| WO-2010044054-A1 | PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES | ACTELION PHARMACEUTICALS LTD (CH) | 2010-04-22 | — | — | WO | claimed |
| CN-102164896-A | Phenethylamide derivatives and their heterocyclic analogues | ACTELION PHARMACEUTICALS LTD | 2011-08-24 | — | — | CN | disclosed |
| WO-2010044054-A1 | PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES | ACTELION PHARMACEUTICALS LTD (CH) | 2010-04-22 | — | — | WO | disclosed |