Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 9/20 | 0.56 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HTR1A | P08908 | 1/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HTR3A | P46098 | 1/20 | 0.45 |
| ▸ | BACE1 | P56817 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.42 |
| ▸ | NOS3 | P29474 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10246718 | 0.83 | HRH3 (0.44) | TAAR1LOXL2NOS3NOS1NOS2 | |
| SCHEMBL12883524 | 0.83 | LPL (0.43) | KDM4EALDH1A1TDP1 | |
| SCHEMBL19295451 | 0.79 | NPC1 (0.40) | SLC6A2 | |
| SCHEMBL13884337 | 0.78 | LMNA (0.48) | KDM4EALDH1A1ADRA2AL3MBTL1KMT2A | |
| SCHEMBL6248799 | 0.78 | HPGD (0.45) | TAAR1CYP2A6ALDH1A1L3MBTL1BLM | |
| SCHEMBL25199389 | 0.78 | HRH3 (0.39) | TAAR1LOXL2NOS3NOS1NOS2 | |
| SCHEMBL17917289 | 0.78 | NPC1 (0.38) | TAAR1ALDH1A1L3MBTL1KMT2ASMN1; SMN2 | |
| SCHEMBL25881532 | 0.78 | ESR1 (0.52) | HTR2AKDM4EALDH1A1ADRA2ASLC6A2 | |
| SCHEMBL17615519 | 0.78 | HRH3 (0.56) | TAAR1CYP2A6LOXL2 | |
| SCHEMBL20969746 | 0.77 | TAAR1 (0.58) | TAAR1CYP2A6CYP1A2HTR2AKDM4E |
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-2017114861-A1 | METHOD FOR DEACETYLATION OF BIOPOLYMERS | GALDERMA S.A. (CH) | 2017-07-06 | — | — | WO | disclosed |