Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | MCHR1 | Q99705 | 5/20 | 0.45 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 2/20 | 0.43 |
| ▸ | NOS1 | P29475 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
| ▸ | ACACB | O00763 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL9855564 | 0.99 | HPGD (0.47) | NPC1RAB9ASMN1; SMN2HSD17B10KDM4E | |
| SCHEMBL9856080 | 0.97 | NPC1 (0.48) | NPC1RAB9ASMN1; SMN2HSD17B10KDM4E | |
| SCHEMBL9854970 | 0.91 | ACACB (0.47) | NPC1RAB9ASMN1; SMN2HSD17B10MCHR1 | |
| SCHEMBL10513163 | 0.88 | MCHR1 (0.45) | NPC1RAB9ASMN1; SMN2HSD17B10KDM4E | |
| SCHEMBL9160932 | 0.85 | KDM4E (0.50) | NPC1RAB9ASMN1; SMN2HSD17B10KDM4E | |
| SCHEMBL9855730 | 0.85 | ACACB (0.48) | MCHR1CYP2D6CHRM1HTR2AACACB | |
| SCHEMBL9495279 | 0.84 | MCHR1 (0.52) | NPC1RAB9ASMN1; SMN2HSD17B10KDM4E | |
| SCHEMBL9497308 | 0.84 | KDM4E (0.51) | KDM4EALDH1A1HPGDHTTL3MBTL1 | |
| SCHEMBL9497781 | 0.83 | MCHR1 (0.51) | NPC1RAB9ASMN1; SMN2HSD17B10KDM4E | |
| SCHEMBL9854937 | 0.83 | FFAR1 (0.44) | RAB9ASMN1; SMN2HSD17B10KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5068053-A | Liquid crystals for optical apparatus | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-11-26 | — | — | US | disclosed |