Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | IDO1 | P14902 | 2/20 | 0.43 |
| ▸ | MMP13 | P45452 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29350809 | 1.00 | ACHE (0.44) | ACHETAAR1ALDH1A1CYP2D6IDO1 | |
| SCHEMBL10601954 | 0.81 | MAOB (0.46) | CYP1A2CYP3A4ALOX15MAPK1 | |
| SCHEMBL28691872 | 0.80 | TAAR1 (0.47) | TAAR1IDO1 | |
| SCHEMBL29350770 | 0.80 | CHRM2 (0.50) | TAAR1CYP2D6IDO1CYP1A2CYP3A4 | |
| SCHEMBL29351801 | 0.80 | TAAR1 (0.47) | TAAR1IDO1 | |
| SCHEMBL28932096 | 0.80 | CHRM2 (0.50) | TAAR1CYP2D6IDO1CYP1A2CYP3A4 | |
| SCHEMBL3306893 | 0.79 | MMP13 (0.46) | ACHETAAR1ALDH1A1CYP2D6IDO1 | |
| SCHEMBL445629 | 0.78 | MAPT (0.48) | ALDH1A1IDO1HPGDKDM4ECYP3A4 | |
| SCHEMBL28696936 | 0.77 | CHRM2 (0.54) | TAAR1ALDH1A1IDO1MMP13KDM4E | |
| SCHEMBL29351350 | 0.77 | CHRM2 (0.54) | TAAR1ALDH1A1IDO1MMP13KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113956182-B | HDAC/MAO-B dual inhibitor and preparation and application thereof | 杭州师范大学 | 2023-11-17 | — | — | CN | disclosed |
| CN-113956182-A | HDAC/MAO-B dual inhibitor and preparation and application thereof | 杭州师范大学 | 2022-01-21 | — | — | CN | disclosed |