Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.59 |
| ▸ | RAB9A | P51151 | 1/20 | 0.59 |
| ▸ | HNF4A | P41235 | 2/20 | 0.49 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.45 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL2256468 | 0.85 | NPC1 (0.72) | NPC1RAB9AHNF4AFFAR1CYP3A4 | |
| SCHEMBL29479413 | 0.85 | NPC1 (0.72) | NPC1RAB9AHNF4AFFAR1CYP3A4 | |
| SCHEMBL5667272 | 0.84 | NPC1 (0.46) | NPC1RAB9AHNF4AFFAR1CYP3A4 | |
| SCHEMBL7656966 | 0.84 | NPC1 (0.50) | NPC1RAB9AHNF4AFFAR1CYP3A4 | |
| SCHEMBL1666085 | 0.82 | APP (0.63) | NPC1RAB9AFFAR1CYP3A4CYP2C9 | |
| Diphenylacetylene SCHEMBL7168945 | 0.81 | HNF4A (0.56) | NPC1RAB9AHNF4AFFAR1CYP3A4 | |
| SCHEMBL30607509 | 0.81 | NPC1 (0.67) | NPC1RAB9AHNF4AFFAR1CYP3A4 | |
| SCHEMBL5669503 | 0.80 | NPC1 (0.61) | NPC1RAB9AHNF4AFFAR1CYP3A4 | |
| SCHEMBL9854738 | 0.79 | ALDH1A1 (0.50) | HNF4ACYP3A4CYP2C9ALOX12ALDH1A1 | |
| SCHEMBL38694 | 0.79 | NPC1 (0.59) | NPC1RAB9AHNF4AFFAR1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| JP-2003012762-A | POLYMERIZABLE LIQUID CRYSTAL COMPOUND, COMPOSITION, AND OPTICALLY ANISOTROPIC PRODUCT | DAINIPPON INK & CHEM INC | 2003-01-15 | — | — | JP | disclosed |