Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | RARB | P10826 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | MCHR1 | Q99705 | 5/20 | 0.49 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | LTA4H | P09960 | 2/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9512258 | 0.97 | NPC1 (0.57) | NPC1RAB9ASMN1; SMN2HSD17B10CYP2D6 | |
| SCHEMBL7185520 | 0.92 | NPC1 (0.62) | NPC1RAB9ASMN1; SMN2HSD17B10CYP2D6 | |
| SCHEMBL9510047 | 0.90 | MCHR1 (0.51) | NPC1RAB9ASMN1; SMN2HSD17B10CYP2D6 | |
| SCHEMBL14264671 | 0.90 | RARB (0.61) | NPC1RAB9ASMN1; SMN2HSD17B10CYP2D6 | |
| SCHEMBL10513340 | 0.88 | MCHR1 (0.52) | NPC1RAB9ASMN1; SMN2HSD17B10CYP2D6 | |
| SCHEMBL6907235 | 0.86 | NR5A1 (0.62) | NPC1RAB9ASMN1; SMN2HSD17B10NR5A1 | |
| SCHEMBL6122097 | 0.84 | NR5A1 (0.66) | NPC1RAB9ASMN1; SMN2HSD17B10RARB | |
| SCHEMBL11662072 | 0.84 | NR5A1 (0.66) | NPC1RAB9ASMN1; SMN2HSD17B10RARB | |
| SCHEMBL15559300 | 0.84 | NR5A1 (0.66) | NPC1RAB9AHSD17B10RARBKDM4E | |
| SCHEMBL10300046 | 0.84 | NR5A1 (0.66) | NPC1RAB9AHSD17B10RARBKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-0308438-B1 | LIQUID CRYSTAL PHASE CONTAINING TOLANES | MERCK PATENT GmbH (DE) | 1993-09-29 | — | — | EP | disclosed |