Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 3/20 | 0.56 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | RET | P07949 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9496162 | 0.87 | ACACB (0.53) | ACACBMCHR1FFAR1NPC1RAB9A | |
| SCHEMBL9495020 | 0.84 | ACACB (0.51) | ACACBTDP1L3MBTL1MCHR1FFAR1 | |
| SCHEMBL9496392 | 0.83 | ACACB (0.50) | ACACBL3MBTL1MCHR1FFAR1KCNH2 | |
| SCHEMBL9495001 | 0.82 | ACACB (0.49) | ACACBFFAR1KCNH2NPC1RAB9A | |
| SCHEMBL9497445 | 0.81 | ACACB (0.48) | ACACBTDP1MCHR1NPC1RAB9A | |
| SCHEMBL10512766 | 0.80 | ACACB (0.41) | ACACBFFAR1KCNH2NPC1RAB9A | |
| SCHEMBL9499450 | 0.80 | GRM5 (0.50) | ACACBCYP2A6FFAR1KCNH2RAB9A | |
| SCHEMBL9499428 | 0.80 | MCHR1 (0.48) | ACACBCYP2A6EGLN1MCHR1FFAR1 | |
| SCHEMBL9472651 | 0.79 | CYP2A6 (0.52) | ACACBCYP2A6FFAR1KCNH2NPC1 | |
| SCHEMBL9497101 | 0.79 | NPC1 (0.60) | ACACBL3MBTL1MCHR1NPC1RAB9A |
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 |