Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 15/20 | 0.48 |
| ▸ | NQO1 | P15559 | 1/20 | 0.47 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL9854862 | 0.88 | NQO1 (0.52) | ACACBNQO1MCHR1TSHRTDP1 | |
| SCHEMBL9497471 | 0.87 | NPC1 (0.53) | ACACBMCHR1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL9497101 | 0.87 | NPC1 (0.60) | ACACBMCHR1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL9496168 | 0.85 | MCHR1 (0.53) | ACACBMCHR1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL9496063 | 0.84 | NPC1 (0.57) | ACACBMCHR1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL9500326 | 0.83 | NPC1 (0.56) | ACACBMCHR1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL10519926 | 0.83 | MCHR1 (0.50) | ACACBMCHR1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL9494937 | 0.81 | ACACB (0.56) | ACACBMCHR1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL9495546 | 0.81 | ACACB (0.53) | ACACBNQO1MCHR1 | |
| SCHEMBL31160399 | 0.80 | NQO1 (0.74) | ACACBNQO1TSHRTDP1 |
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 |