Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 6/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.44 |
| ▸ | CYP2E1 | P05181 | 4/20 | 0.44 |
| ▸ | CYP2C8 | P10632 | 4/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | MIF | P14174 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9545449 | 0.79 | MAPK14 (0.52) | CYP2C19CYP2D6CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL6625487 | 0.72 | TP53 (0.40) | CYP2C19CYP2D6CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL6629853 | 0.72 | HTT (0.50) | NPC1RAB9ASMN1; SMN2TP53MAPT | |
| SCHEMBL6625483 | 0.71 | MEN1 (0.38) | KDM4EMIFNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6477170 | 0.68 | ABL1 (0.58) | CYP2C19CYP2D6CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL9545454 | 0.67 | MAPK14 (0.52) | CYP2C19CYP2D6CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL10099698 | 0.67 | PDGFRB (0.50) | KDM4ENPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL7803222 | 0.67 | NPC1 (0.42) | KDM4ENPC1RAB9AMEN1KMT2A | |
| SCHEMBL17279819 | 0.67 | NPC1 (0.50) | KDM4ENPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL6628026 | 0.66 | LMNA (0.52) | SMN1; SMN2LMNATP53MAPTGAA |
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 |
|---|---|---|---|---|---|---|---|
| US-5364875-A | Anticholesterol agents | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-11-15 | — | — | US | disclosed |