Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 11/20 | 0.40 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 2/20 | 0.32 |
| ▸ | NSD2 | O96028 | 1/20 | 0.32 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9312015 | 1.00 | KDM1A (0.40) | KDM1AGRM2NPC1RAB9ATP53 | |
| SCHEMBL8382002 | 0.91 | KDM1A (0.39) | KDM1AGRM2NPC1RAB9ATP53 | |
| SCHEMBL8381998 | 0.91 | KDM1A (0.39) | KDM1AGRM2NPC1RAB9ATP53 | |
| SCHEMBL9313837 | 0.91 | KDM1A (0.39) | KDM1AGRM2NPC1RAB9ATP53 | |
| SCHEMBL8383727 | 0.90 | KDM1A (0.36) | KDM1AGRM2NPC1RAB9ATP53 | |
| SCHEMBL9313788 | 0.90 | KDM1A (0.36) | KDM1AGRM2NPC1RAB9ATP53 | |
| SCHEMBL9313784 | 0.90 | KDM1A (0.36) | KDM1AGRM2NPC1RAB9ATP53 | |
| SCHEMBL8518088 | 0.87 | KDM1A (0.42) | KDM1AGRM2NPC1RAB9ATP53 | |
| SCHEMBL9312803 | 0.87 | ACACB (0.34) | GRM2CYP11B1CYP11B2ALDH1A1CYP1A2 | |
| SCHEMBL9311901 | 0.87 | KDM1A (0.42) | KDM1AGRM2NPC1RAB9ATP53 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0475273-B1 | Liquid crystal mixture containing halogenated alcenyl compounds | MERCK PATENT GMBH (DE) | 1999-04-07 | — | — | EP | disclosed |
| US-5292452-A | Electrooptical devices; high dielectric anisotropy, low rotation viscosity, short response time | HOFFMANN-LA ROCHE INC. (US) | 1994-03-08 | — | — | US | disclosed |
| EP-0475273-A1 | Halogenated alcenyl compounds | F. HOFFMANN-LA ROCHE AG (CH) | 1992-03-18 | — | — | EP | disclosed |