Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 4/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | THPO | P40225 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 5/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9495311 | 0.95 | HSD17B10 (0.45) | ALDH1A1NFKB1L3MBTL1MAPTTSHR | |
| SCHEMBL9495406 | 0.94 | HSD17B10 (0.48) | ALDH1A1L3MBTL1MAPTTSHRKDM4E | |
| SCHEMBL9497862 | 0.94 | ALDH1A1 (0.44) | ALDH1A1NFKB1L3MBTL1MAPTTSHR | |
| SCHEMBL9500038 | 0.91 | HSD17B10 (0.46) | ALDH1A1NFKB1L3MBTL1MAPTTSHR | |
| SCHEMBL9497476 | 0.91 | HSD17B10 (0.46) | ALDH1A1NFKB1L3MBTL1MAPTTSHR | |
| SCHEMBL9495456 | 0.91 | NFKB1 (0.42) | ALDH1A1NFKB1L3MBTL1MAPTTSHR | |
| SCHEMBL9497945 | 0.91 | NFKB1 (0.42) | ALDH1A1NFKB1L3MBTL1MAPTTSHR | |
| SCHEMBL9495560 | 0.90 | ACACB (0.41) | ACACBFFAR1MCHR1 | |
| SCHEMBL9498060 | 0.89 | HSD17B10 (0.49) | ALDH1A1NFKB1L3MBTL1MAPTTSHR | |
| SCHEMBL9496806 | 0.89 | HSD17B10 (0.49) | ALDH1A1NFKB1L3MBTL1MAPTTSHR |
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 |