Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.43 |
| ▸ | TDO2 | P48775 | 2/20 | 0.43 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ALPG | P10696 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.33 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL933502 | 0.76 | IDO1 (0.52) | IDO1TDO2AOC3HDAC3HDAC4 | |
| SCHEMBL12532131 | 0.76 | LMNA (0.46) | IDO1TDO2AOC3ALDH1A1LMNA | |
| SCHEMBL2684555 | 0.76 | LMNA (0.46) | IDO1TDO2AOC3ALDH1A1LMNA | |
| SCHEMBL28185990 | 0.76 | ADRB2 (0.50) | IDO1TDO2LMNA | |
| SCHEMBL26033140 | 0.76 | HTT (0.40) | IDO1ALDH1A1LMNASMN1; SMN2ESR1 | |
| SCHEMBL23244675 | 0.76 | PYCR1 (0.40) | ALDH1A1ESR1ESR2MAOA | |
| SCHEMBL21263995 | 0.76 | CHRNA7 (0.39) | ALDH1A1LMNAESR1ESR2MAOA | |
| SCHEMBL28186749 | 0.76 | CES2 (0.38) | ESR1ESR2 | |
| SCHEMBL28274866 | 0.76 | CES2 (0.39) | IDO1ALDH1A1 | |
| SCHEMBL205813 | 0.75 | LMNA (0.44) | IDO1TDO2AOC3ALDH1A1LMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109336829-B | Aryl formamide compound containing 1,2, 3-triazole structure and application thereof | 沈阳药科大学 | 2022-03-01 | — | — | CN | disclosed |
| CN-109336829-A | Aryl methanamide compounds of the triazole structure containing 1,2,3- and application thereof | 沈阳药科大学 | 2019-02-15 | — | — | CN | disclosed |
| CN-107459491-A | Benzamide compound containing 1,2,3 triazole structures and application thereof | 沈阳药科大学 | 2017-12-12 | — | — | CN | disclosed |