Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 | P30926 | 2/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | C3AR1 | Q16581 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL23036723 | 0.83 | ALDH1A1 (0.37) | CHRNB4CHRNA3MAPTKDM4EALDH1A1 | |
| SCHEMBL29456354 | 0.83 | ALDH1A1 (0.37) | CHRNB4CHRNA3MAPTKDM4EALDH1A1 | |
| SCHEMBL21491399 | 0.83 | ALDH1A1 (0.37) | CHRNB4CHRNA3MAPTKDM4EALDH1A1 | |
| SCHEMBL23036803 | 0.80 | CYP2C19 (0.38) | MAPTKDM4EALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL21491440 | 0.80 | CYP2C19 (0.38) | MAPTKDM4EALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL29456344 | 0.80 | CYP2C19 (0.38) | MAPTKDM4EALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL20472385 | 0.76 | CHRNB4 (0.56) | CHRNB4CHRNA3MAPTALDH1A1CHRNB2 | |
| SCHEMBL5263045 | 0.73 | SIGMAR1 (0.42) | MAPTALDH1A1GAASIGMAR1LMNA | |
| SCHEMBL28975866 | 0.72 | PRMT5 (0.43) | MAPTKDM4EALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL23036733 | 0.72 | KMT2A (0.36) | LMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3784666-A1 | ANTIPROLIFERATION COMPOUNDS AND USES THEREOF | Merck Patent GmbH (DE) | 2021-03-03 | — | — | EP | disclosed |