Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 5/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | NR1H4 | Q96RI1 | 3/20 | 0.43 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL21768045 | 1.00 | ALDH1A1 (0.49) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL21780050 | 0.86 | AOC3 (0.49) | ALDH1A1MAPK1SMN1; SMN2KMT2ANPC1 | |
| SCHEMBL21780053 | 0.84 | AOC3 (0.48) | ALDH1A1CYP1A2MAPTSMN1; SMN2KMT2A | |
| SCHEMBL21780059 | 0.84 | MAOB (0.56) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL21845069 | 0.84 | MAOB (0.56) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| Trifluoroacetic Acid SCHEMBL21768161 | 0.81 | MAOB (0.53) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| Trifluoroacetic Acid SCHEMBL21768031 | 0.81 | MAOB (0.53) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| Trifluoroacetic Acid SCHEMBL30089473 | 0.81 | MAOB (0.53) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| Trifluoroacetic Acid SCHEMBL21768026 | 0.81 | MAOB (0.53) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| Trifluoroacetic Acid SCHEMBL30089445 | 0.81 | MAOB (0.53) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 |
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-3617186-A1 | FLUOROALLYLAMINE DERIVATIVE AND USE THEREOF | Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) | 2020-03-04 | — | — | EP | disclosed |