Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 8/20 | 0.55 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9496938 | 0.99 | ACACB (0.54) | ACACBMCHR1KDM4EALDH1A1HPGD | |
| SCHEMBL9496622 | 0.99 | ACACB (0.54) | ACACBMCHR1KDM4EALDH1A1HPGD | |
| SCHEMBL9495448 | 0.99 | ACACB (0.54) | ACACBMCHR1KDM4EALDH1A1HPGD | |
| SCHEMBL9500587 | 0.97 | ACACB (0.57) | ACACBMCHR1ALDH1A1HPGDLMNA | |
| SCHEMBL9498322 | 0.93 | ACACB (0.50) | ACACBMCHR1KDM4EALDH1A1HPGD | |
| SCHEMBL9494910 | 0.92 | ACACB (0.49) | ACACBMCHR1KDM4EALDH1A1HPGD | |
| SCHEMBL9497365 | 0.92 | ACACB (0.49) | ACACBMCHR1KDM4EALDH1A1HPGD | |
| SCHEMBL9496155 | 0.92 | ACACB (0.49) | ACACBMCHR1KDM4EALDH1A1HPGD | |
| SCHEMBL9500434 | 0.92 | ACACB (0.63) | ACACBMCHR1 | |
| SCHEMBL9497687 | 0.91 | ACACB (0.54) | ACACBMCHR1KDM4EALDH1A1HPGD |
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 |