Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | PLD2 | O14939 | 6/20 | 0.45 |
| ▸ | PLD1 | Q13393 | 5/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.45 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.43 |
| ▸ | DRD2 | P14416 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.43 |
| ▸ | MLNR | O43193 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | PGR | P06401 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4674483 | 0.87 | ALDH1A1 (0.45) | KDM4EALDH1A1NPSR1CYP2D6LMNA | |
| SCHEMBL3403017 | 0.86 | OPRM1 (0.50) | KDM4EALDH1A1PMP22NPSR1BCHE | |
| SCHEMBL1835272 | 0.86 | OPRM1 (0.50) | KDM4EALDH1A1PMP22NPSR1BCHE | |
| SCHEMBL4739224 | 0.82 | KDM4E (0.48) | KDM4EALDH1A1PMP22NPSR1BCHE | |
| SCHEMBL1837752 | 0.82 | TNKS (0.51) | KDM4EALDH1A1PMP22NPSR1BCHE | |
| SCHEMBL1838176 | 0.81 | OPRK1 (0.50) | KDM4EALDH1A1PMP22NPSR1BCHE | |
| SCHEMBL1836260 | 0.81 | OPRK1 (0.50) | KDM4EALDH1A1PMP22NPSR1BCHE | |
| SCHEMBL1834994 | 0.81 | OPRM1 (0.52) | KDM4EALDH1A1PMP22NPSR1BCHE | |
| SCHEMBL3399651 | 0.81 | OPRM1 (0.52) | KDM4EALDH1A1PMP22NPSR1BCHE | |
| SCHEMBL1831703 | 0.81 | OPRM1 (0.47) | KDM4EALDH1A1PMP22NPSR1BCHE |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1997805-A1 | Compounds with antiparasitic activity, applications thereof to the treatment of infectious diseases caused by apicomplexans | Commissariat à l'Energie Atomique (FR) | 2008-12-03 | — | — | EP | claimed |