Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | ELOVL6 | Q9H5J4 | 4/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | JAK3 | P52333 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | FAAH | O00519 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL20069833 | 0.90 | ALDH1A1 (0.53) | ALDH1A1MEN1KMT2APOLBELOVL6 | |
| SCHEMBL30359159 | 0.83 | ALDH1A1 (0.56) | ALDH1A1MEN1KMT2AKDM4ENPC1 | |
| SCHEMBL30359029 | 0.80 | KDM4E (0.51) | ALDH1A1MEN1KMT2AKDM4ENPC1 | |
| SCHEMBL29432699 | 0.79 | PKM (0.55) | ALDH1A1MEN1KMT2ANPC1RAB9A | |
| SCHEMBL22635910 | 0.78 | NOX1 (0.43) | ALDH1A1KMT2AHTTKDM4E | |
| SCHEMBL30359063 | 0.78 | KIF11 (0.47) | ALDH1A1KMT2AELOVL6NPC1RAB9A | |
| SCHEMBL25423269 | 0.77 | USP2 (0.54) | MEN1KMT2APOLBHTTKDM4E | |
| SCHEMBL22635904 | 0.77 | KCNK3 (0.42) | MEN1KMT2AELOVL6HTTMAPT | |
| SCHEMBL30359190 | 0.77 | TSHR (0.57) | ALDH1A1MEN1KMT2APOLBGAA | |
| SCHEMBL30358995 | 0.75 | L3MBTL1 (0.56) | ALDH1A1SMN1; SMN2GAAMAPTCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020225185-A1 | COMBINATION OF AN α2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONISTS WITH A TASK1/3 CHANNEL BLOCKER FOR THE TREATMENT OF SLEEP APNEA | BAYER AKTIENGESELLSCHAFT (DE) | 2020-11-12 | — | — | WO | disclosed |