Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.44 |
| ▸ | LTA4H | P09960 | 4/20 | 0.42 |
| ▸ | FDPS | P14324 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | SCN1A | P35498 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5696428 | 1.00 | CYP2D6 (0.53) | CYP2D6KDM4ENPC1CYP1A2HPGD | |
| SCHEMBL21461608 | 1.00 | CYP2D6 (0.53) | CYP2D6KDM4ENPC1CYP1A2HPGD | |
| SCHEMBL20832988 | 0.84 | CYP2D6 (0.50) | CYP2D6KDM4ENPC1CYP1A2HPGD | |
| SCHEMBL22260033 | 0.84 | CYP2D6 (0.50) | CYP2D6KDM4ENPC1CYP1A2HPGD | |
| SCHEMBL1641984 | 0.80 | POLB (0.51) | CYP2D6KDM4ENPC1CYP1A2HPGD | |
| SCHEMBL20833001 | 0.80 | POLB (0.51) | CYP2D6KDM4ENPC1CYP1A2HPGD | |
| SCHEMBL22260067 | 0.80 | POLB (0.51) | CYP2D6KDM4ENPC1CYP1A2HPGD | |
| SCHEMBL22260272 | 0.75 | CYP2D6 (0.48) | CYP2D6KDM4ENPC1CYP1A2HPGD | |
| SCHEMBL20833005 | 0.75 | CYP2D6 (0.48) | CYP2D6KDM4ENPC1CYP1A2HPGD | |
| SCHEMBL27886943 | 0.75 | GHSR (0.42) | CYP2D6KDM4ENPC1CYP1A2HPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-2368890-B9 | Hepatitis C virus inhibitors | ABBVIE BAHAMAS LTD (BS) | 2013-10-30 | — | — | EP | disclosed |
| EP-2368890-B1 | Hepatitis C virus inhibitors | ABBVIE BAHAMAS LTD (BS) | 2013-04-17 | — | — | EP | disclosed |