Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | RGS12 | O14924 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8920045 | 0.82 | NAALAD2 (0.43) | ALDH1A1CYP1A2KMT2AMEN1LMNA | |
| SCHEMBL28476595 | 0.81 | MAPT (0.45) | ALDH1A1CYP1A2KMT2AMEN1LMNA | |
| SCHEMBL13545121 | 0.81 | MTNR1A (0.46) | ALDH1A1CYP1A2KMT2AMEN1LMNA | |
| SCHEMBL21142858 | 0.81 | LMNA (0.51) | ALDH1A1CYP1A2KMT2AMEN1LMNA | |
| SCHEMBL5743537 | 0.81 | LMNA (0.51) | ALDH1A1CYP1A2KMT2AMEN1LMNA | |
| SCHEMBL19369909 | 0.81 | ALDH1A1 (0.50) | ALDH1A1CYP1A2KMT2AMEN1LMNA | |
| SCHEMBL19578295 | 0.80 | OPRK1 (0.47) | ALDH1A1CYP1A2KMT2AMEN1LMNA | |
| SCHEMBL12463081 | 0.80 | ALDH1A1 (0.40) | ALDH1A1CYP1A2KMT2AMEN1LMNA | |
| SCHEMBL1964866 | 0.79 | CYP2D6 (0.50) | ALDH1A1KMT2AMEN1LMNAPOLB | |
| SCHEMBL5225847 | 0.79 | CYP2D6 (0.50) | ALDH1A1KMT2AMEN1LMNAPOLB |
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-109796352-A | A kind of ortho-alkylating arylamine and preparation method thereof | 广东工业大学 | 2019-05-24 | — | — | CN | disclosed |