Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.57 |
| ▸ | RAB9A | P51151 | 3/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.45 |
| ▸ | ACACB | O00763 | 2/20 | 0.44 |
| ▸ | LTA4H | P09960 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | PLA2G4B | P0C869 | 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 | |
|---|---|---|---|---|
| SCHEMBL9500326 | 0.99 | NPC1 (0.56) | NPC1RAB9ASMN1; SMN2HSD17B10MCHR1 | |
| SCHEMBL9497101 | 0.97 | NPC1 (0.60) | NPC1RAB9ASMN1; SMN2HSD17B10MCHR1 | |
| SCHEMBL9497471 | 0.91 | NPC1 (0.53) | NPC1RAB9ASMN1; SMN2HSD17B10MCHR1 | |
| SCHEMBL9498090 | 0.89 | KDM4E (0.52) | NPC1RAB9ASMN1; SMN2HSD17B10MCHR1 | |
| SCHEMBL9496057 | 0.88 | KDM4E (0.55) | NPC1RAB9AHSD17B10MCHR1KDM4E | |
| SCHEMBL9495779 | 0.88 | KDM4E (0.55) | NPC1RAB9AHSD17B10MCHR1KDM4E | |
| SCHEMBL9495038 | 0.88 | KDM4E (0.55) | NPC1RAB9AHSD17B10MCHR1KDM4E | |
| SCHEMBL10519926 | 0.88 | MCHR1 (0.50) | NPC1RAB9ASMN1; SMN2HSD17B10MCHR1 | |
| SCHEMBL9500401 | 0.87 | MCHR1 (0.49) | NPC1RAB9ASMN1; SMN2HSD17B10MCHR1 | |
| SCHEMBL9495676 | 0.86 | MCHR1 (0.53) | NPC1RAB9ASMN1; SMN2HSD17B10MCHR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0306505-B1 | ACETYLENE DERIVATIVES AS COMPONENTS OF LIQUID CRYSTAL PHASES | MERCK PATENT GmbH (DE) | 1993-03-24 | — | — | EP | disclosed |
| US-5068053-A | Liquid crystals for optical apparatus | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-11-26 | — | — | US | disclosed |