Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | NAAA | Q02083 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.47 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.47 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.46 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9497517 | 1.00 | ALDH1A1 (0.47) | ALDH1A1KDM4EHPGDL3MBTL1HTT | |
| SCHEMBL9499457 | 1.00 | ALDH1A1 (0.47) | ALDH1A1KDM4EHPGDL3MBTL1HTT | |
| SCHEMBL9497343 | 0.99 | ALDH1A1 (0.48) | ALDH1A1KDM4EHPGDL3MBTL1HTT | |
| SCHEMBL9496727 | 0.99 | ALDH1A1 (0.48) | ALDH1A1KDM4EHPGDL3MBTL1HTT | |
| SCHEMBL9498020 | 0.99 | ALDH1A1 (0.48) | ALDH1A1KDM4EHPGDL3MBTL1HTT | |
| SCHEMBL9498195 | 0.99 | MCHR1 (0.47) | ALDH1A1KDM4EHPGDL3MBTL1HTT | |
| SCHEMBL9498264 | 0.97 | MCHR1 (0.48) | ALDH1A1KDM4EHPGDL3MBTL1HTT | |
| SCHEMBL9495774 | 0.96 | ALDH1A1 (0.46) | ALDH1A1KDM4EHPGDL3MBTL1HTT | |
| SCHEMBL9499761 | 0.96 | ALDH1A1 (0.46) | ALDH1A1KDM4EHPGDL3MBTL1HTT | |
| SCHEMBL9497030 | 0.96 | ALDH1A1 (0.46) | ALDH1A1KDM4EHPGDL3MBTL1HTT |
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 |