Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | THRB | P10828 | 1/20 | 0.56 |
| ▸ | PKM | P14618 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 3/20 | 0.55 |
| ▸ | RAB9A | P51151 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | NR1H4 | Q96RI1 | 5/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.54 |
| ▸ | HPSE | Q9Y251 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL21768134 | 0.85 | THRB (0.61) | MAPK1THRBPKMALDH1A1HTT | |
| SCHEMBL21768090 | 0.82 | HTT (0.65) | MAPK1THRBPKMALDH1A1HTT | |
| SCHEMBL18301907 | 0.79 | PLA2G4B (0.59) | ALDH1A1PPARD | |
| SCHEMBL5182631 | 0.78 | THRB (0.64) | MAPK1THRBPKMALDH1A1CYP1A2 | |
| SCHEMBL28324269 | 0.78 | USP2 (0.54) | MAPK1THRBALDH1A1NPC1RAB9A | |
| SCHEMBL21845068 | 0.77 | ALDH1A1 (0.56) | MAPK1THRBPKMALDH1A1HTT | |
| SCHEMBL3331503 | 0.76 | PLA2G4B (0.57) | ALDH1A1CYP1A2SMN1; SMN2MAPT | |
| SCHEMBL9796094 | 0.76 | PKM (0.51) | MAPK1THRBPKMHTTNPC1 | |
| SCHEMBL3460612 | 0.75 | TP53 (0.54) | MAPK1THRBPKMALDH1A1HTT | |
| SCHEMBL5182517 | 0.75 | NR1H4 (0.62) | MAPK1THRBPKMALDH1A1HTT |
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 |
|---|---|---|---|---|---|---|---|
| CN-110352188-B | Fluoroallylamine derivatives and use thereof | 四川科伦博泰生物医药股份有限公司 | 2022-11-29 | — | — | CN | disclosed |