Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | PRNP | P04156 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | JAK1 | P23458 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19798675 | 0.94 | NPC1 (0.38) | SLC18A3ESR2ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL30909 | 0.83 | ESR2 (0.41) | ESR2ALDH1A1MAPTSMN1; SMN2LMNA | |
| SCHEMBL1405569 | 0.82 | ESR2 (0.50) | SLC18A3ESR2ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL7733705 | 0.81 | KDM4E (0.39) | SLC18A3ESR2ALDH1A1KDM4EJAK2 | |
| SCHEMBL7733708 | 0.81 | KDM4E (0.39) | SLC18A3ESR2ALDH1A1KDM4EJAK2 | |
| SCHEMBL11623457 | 0.80 | ESR2 (0.59) | ESR2 | |
| SCHEMBL11523793 | 0.80 | ALDH1A1 (0.64) | SLC18A3ALDH1A1MAPTKDM4EMEN1 | |
| SCHEMBL11523786 | 0.80 | ALDH1A1 (0.64) | SLC18A3ALDH1A1MAPTKDM4EMEN1 | |
| SCHEMBL7305798 | 0.80 | SLC18A3 (0.40) | SLC18A3ESR2ALDH1A1MAPTKDM4E | |
| SCHEMBL7298806 | 0.80 | SLC18A3 (0.40) | SLC18A3ESR2ALDH1A1MAPTKDM4E |
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-3081620-B1 | LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME | MERCK PATENT GMBH (DE) | 2020-04-01 | — | — | EP | disclosed |
| US-4130502-A | Liquid crystalline cyclohexane derivatives | MERCK PATENT GESELLSCHAFT MIT (DE) | 1978-12-19 | — | — | US | disclosed |