Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.57 |
| ▸ | RAB9A | P51151 | 2/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.54 |
| ▸ | MCHR1 | Q99705 | 5/20 | 0.51 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.49 |
| ▸ | HTR2A | P28223 | 2/20 | 0.49 |
| ▸ | RARB | P10826 | 3/20 | 0.46 |
| ▸ | ATP4A | P20648 | 1/20 | 0.46 |
| ▸ | ATP4B | P51164 | 1/20 | 0.46 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | DRD4 | P21917 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9512478 | 0.97 | NPC1 (0.54) | NPC1RAB9ASMN1; SMN2HSD17B10CYP2D6 | |
| SCHEMBL9510047 | 0.93 | MCHR1 (0.51) | NPC1RAB9ASMN1; SMN2HSD17B10CYP2D6 | |
| SCHEMBL7185520 | 0.87 | NPC1 (0.62) | NPC1RAB9ASMN1; SMN2HSD17B10CYP2D6 | |
| SCHEMBL14264671 | 0.86 | RARB (0.61) | NPC1RAB9ASMN1; SMN2HSD17B10CYP2D6 | |
| SCHEMBL9512304 | 0.86 | NQO1 (0.52) | SMN1; SMN2CYP2D6MCHR1CHRM1HTR2A | |
| SCHEMBL10513340 | 0.85 | MCHR1 (0.52) | NPC1RAB9ASMN1; SMN2HSD17B10CYP2D6 | |
| SCHEMBL3790721 | 0.85 | NPC1 (0.61) | NPC1RAB9ASMN1; SMN2HSD17B10CYP2D6 | |
| SCHEMBL9508533 | 0.83 | CYP2D6 (0.54) | NPC1RAB9ASMN1; SMN2HSD17B10CYP2D6 | |
| SCHEMBL6907235 | 0.81 | NR5A1 (0.62) | NPC1RAB9ASMN1; SMN2HSD17B10ALDH3A1 | |
| SCHEMBL9151170 | 0.81 | CYP2D6 (0.76) | NPC1RAB9ASMN1; SMN2HSD17B10CYP2D6 |
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 |