Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.61 |
| ▸ | RAB9A | P51151 | 6/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.61 |
| ▸ | RARB | P10826 | 3/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.56 |
| ▸ | LTA4H | P09960 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.53 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.53 |
| ▸ | RELA | Q04206 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL7501337 | 1.00 | NPC1 (0.61) | NPC1RAB9ASMN1; SMN2KDM4EHSD17B10 | |
| SCHEMBL7507657 | 1.00 | NPC1 (0.61) | NPC1RAB9ASMN1; SMN2KDM4EHSD17B10 | |
| SCHEMBL7503413 | 1.00 | NPC1 (0.61) | NPC1RAB9ASMN1; SMN2KDM4EHSD17B10 | |
| SCHEMBL9330768 | 0.94 | NPC1 (0.69) | NPC1RAB9ASMN1; SMN2KDM4EHSD17B10 | |
| SCHEMBL9184595 | 0.94 | NPC1 (0.69) | NPC1RAB9ASMN1; SMN2KDM4EHSD17B10 | |
| SCHEMBL10000271 | 0.88 | NPC1 (0.61) | NPC1RAB9ASMN1; SMN2KDM4EHSD17B10 | |
| SCHEMBL9153955 | 0.87 | LTA4H (0.70) | RARBCYP2D6CYP3A4CYP19A1CYP2C9 | |
| SCHEMBL9153960 | 0.87 | LTA4H (0.70) | RARBCYP2D6CYP3A4CYP19A1CYP2C9 | |
| SCHEMBL9151222 | 0.87 | LTA4H (0.70) | RARBCYP2D6CYP3A4CYP19A1CYP2C9 | |
| SCHEMBL9152810 | 0.87 | LTA4H (0.70) | RARBCYP2D6CYP3A4CYP19A1CYP2C9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0541081-B1 | Compounds with only a side chain for use in liquid crystal mixtures | AVENTIS RES & TECH GMBH & CO (DE) | 2002-04-10 | — | — | EP | disclosed |
| US-5849216-A | Compounds for use in liquid-crystal mixtures | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-12-15 | — | — | US | disclosed |
| EP-0541081-A2 | Compounds with only a side chain for use in liquid crystal mixtures | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-05-12 | — | — | EP | disclosed |