Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 1/20 | 0.47 |
| ▸ | ACACB | O00763 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | NAAA | Q02083 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.45 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9496724 | 0.96 | NAAA (0.47) | MCHR1ACACBSMN1; SMN2NAAAMEN1 | |
| SCHEMBL9500445 | 0.96 | ACACB (0.49) | MCHR1ACACBSMN1; SMN2NAAAMEN1 | |
| SCHEMBL9496633 | 0.96 | ALDH1A1 (0.50) | MCHR1ACACBSMN1; SMN2NAAAMEN1 | |
| SCHEMBL9497142 | 0.94 | ALDH1A1 (0.52) | MCHR1ACACBSMN1; SMN2NAAAMEN1 | |
| SCHEMBL9495197 | 0.94 | NAAA (0.49) | MCHR1ACACBSMN1; SMN2NAAAMEN1 | |
| SCHEMBL9496490 | 0.94 | NAAA (0.49) | MCHR1ACACBSMN1; SMN2NAAAMEN1 | |
| SCHEMBL9496460 | 0.94 | NAAA (0.49) | MCHR1ACACBSMN1; SMN2NAAAMEN1 | |
| SCHEMBL9496177 | 0.94 | MCHR1 (0.47) | MCHR1ACACBSMN1; SMN2NAAAMEN1 | |
| SCHEMBL9498731 | 0.93 | NAAA (0.50) | MCHR1ACACBSMN1; SMN2NAAAMEN1 | |
| SCHEMBL9497846 | 0.92 | NAAA (0.52) | MCHR1ACACBSMN1; SMN2NAAAMEN1 |
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 |