Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 4/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | PDE4A | P27815 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | PDE5A | O76074 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.34 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.34 |
| ▸ | NAAA | Q02083 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11060802 | 1.00 | KDM1A (0.55) | KDM1ACYP2C9ALDH1A1MAPTLMNA | |
| SCHEMBL22161985 | 0.96 | KDM1A (0.51) | KDM1ACYP2C9ALDH1A1MAPTLMNA | |
| SCHEMBL10982364 | 0.92 | KDM1A (0.52) | KDM1ACYP2C9ALDH1A1MAPTLMNA | |
| SCHEMBL10982370 | 0.92 | KDM1A (0.52) | KDM1ACYP2C9ALDH1A1MAPTLMNA | |
| SCHEMBL10979270 | 0.91 | KDM1A (0.51) | KDM1ACYP2C9ALDH1A1MAPTLMNA | |
| SCHEMBL10979273 | 0.91 | KDM1A (0.51) | KDM1ACYP2C9ALDH1A1MAPTLMNA | |
| SCHEMBL13128378 | 0.90 | KDM1A (0.44) | KDM1ACYP2C9ALDH1A1MAPTLMNA | |
| SCHEMBL10975494 | 0.90 | KDM1A (0.44) | KDM1ACYP2C9ALDH1A1MAPTLMNA | |
| SCHEMBL10975492 | 0.90 | KDM1A (0.44) | KDM1ACYP2C9ALDH1A1MAPTLMNA | |
| SCHEMBL20803583 | 0.90 | KDM1A (0.47) | KDM1ACYP2C9ALDH1A1MAPTLMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-4490305-A | Liquid-crystalline halogen compounds, process for their preparation, dielectrics containing these, and electro-optical display element | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1984-12-25 | — | — | US | disclosed |
| EP-0074608-A2 | Liquid crystal halogen compounds, process for their preparation, dielectric and dectrooptical display element containing them | MERCK PATENT GmbH (DE) | 1983-03-23 | — | — | EP | disclosed |