Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.67 |
| ▸ | LMNA | P02545 | 2/20 | 0.67 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.67 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.67 |
| ▸ | RELA | Q04206 | 1/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.67 |
| ▸ | RARB | P10826 | 3/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.65 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.65 |
| ▸ | MAPT | P10636 | 4/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.65 |
| ▸ | MEN1 | O00255 | 1/20 | 0.65 |
| ▸ | HPGD | P15428 | 1/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.65 |
| ▸ | RAB9A | P51151 | 1/20 | 0.59 |
| ▸ | STS | P08842 | 5/20 | 0.59 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL9455825 | 1.00 | NPC1 (0.67) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL19188726 | 0.96 | NPC1 (0.72) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL9141566 | 0.96 | NPC1 (0.72) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL17840354 | 0.96 | NPC1 (0.72) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL9142556 | 0.96 | NPC1 (0.72) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL9182247 | 0.94 | NPC1 (0.74) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL9477456 | 0.94 | NPC1 (0.74) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL8411319 | 0.94 | RARB (0.73) | NPC1LMNASMN1; SMN2RARBCYP1A2 | |
| SCHEMBL8376750 | 0.94 | NPC1 (0.74) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL9139675 | 0.94 | RARB (0.73) | NPC1LMNASMN1; SMN2RARBCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| JP-5186401-A | — | — | None | — | — | JP | disclosed |
| JP-H05186401-A | LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME | SHOWA SHELL SEKIYU KK | 1993-07-27 | — | — | JP | disclosed |