Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.41 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CCNC | P24863 | 1/20 | 0.41 |
| ▸ | CDK8 | P49336 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.40 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14192558 | 0.85 | KMT2A (0.44) | NPC1KMT2ALMNAPDGFRBPDGFRA | |
| SCHEMBL14088441 | 0.83 | NPC1 (0.54) | NPC1KMT2ALMNACYP1A2CYP3A4 | |
| SCHEMBL21266427 | 0.82 | PPARA (0.41) | NPC1KMT2ALMNACYP1A2CYP3A4 | |
| SCHEMBL13380196 | 0.81 | THRB (0.44) | NPC1KMT2ALMNACYP1A2CYP3A4 | |
| SCHEMBL12510604 | 0.81 | THRB (0.44) | NPC1KMT2ALMNACYP1A2CYP3A4 | |
| SCHEMBL14192517 | 0.81 | SRD5A1 (0.43) | NPC1KMT2ALMNASMN1; SMN2CCNC | |
| SCHEMBL6536473 | 0.80 | HTT (0.44) | NPC1KMT2ALMNACYP1A2CYP3A4 | |
| SCHEMBL14192585 | 0.79 | MAPT (0.46) | NPC1KMT2ALMNACYP1A2CYP3A4 | |
| SCHEMBL23082510 | 0.79 | NPC1 (0.37) | NPC1KMT2ALMNACYP1A2CYP3A4 | |
| SCHEMBL14192584 | 0.78 | SMN1; SMN2 (0.44) | NPC1KMT2ALMNACYP1A2CYP3A4 |
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-7357964-B2 | Liquid-crystalline vinyl ketone derivatives and their polymers | CHISSO CORPORATION (JP) | 2008-04-15 | — | — | US | disclosed |