Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | ALPL | P05186 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | TTK | P33981 | 1/20 | 0.37 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.36 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8583332 | 0.81 | DPP4 (0.39) | DPP4ALDH1A1KDM4EHPGDGAA | |
| SCHEMBL14498353 | 0.81 | PTGS1 (0.40) | ALDH1A1KDM4ERAB9AHPGDGAA | |
| SCHEMBL27483035 | 0.81 | ALOX15 (0.39) | ALDH1A1KDM4ERAB9AHPGDGAA | |
| SCHEMBL18642527 | 0.79 | NR1H2 (0.42) | ALDH1A1KDM4ERAB9AHPGDGAA | |
| SCHEMBL17739710 | 0.78 | GPR84 (0.41) | ALDH1A1KDM4ERAB9AHPGDGAA | |
| SCHEMBL9706893 | 0.77 | HPGD (0.36) | ALDH1A1KDM4ERAB9AHPGDGAA | |
| SCHEMBL27872988 | 0.77 | KDM4E (0.45) | ALDH1A1KDM4EHPGDGAASMN1; SMN2 | |
| SCHEMBL28310780 | 0.75 | GPR84 (0.46) | ALDH1A1ADORA2AMAPTNPSR1 | |
| SCHEMBL28147084 | 0.74 | TAAR1 (0.53) | DPP4ALDH1A1KDM4ERAB9AHPGD | |
| SCHEMBL454022 | 0.74 | ALDH1A1 (0.47) | ALDH1A1KDM4ERAB9AHPGDGAA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118684656-A | Tujia bark acetic acid derivative and preparation method thereof | 延边大学 | 2024-09-24 | — | — | CN | disclosed |
| CN-106588787-B | A kind of application of the triazole of 1,2,3- containing sweet-smelling formacyl ligand | 昆明理工大学 | 2019-09-27 | — | — | CN | disclosed |
| CN-109111404-A | The preparation method of 1- aryl -4- methoxycarbonyl base -1,2,3- triazole derivatives | 昆明理工大学 | 2019-01-01 | — | — | CN | disclosed |
| CN-106588787-A | Arylformyl group-containing 1,2,3-triazole ligand, and preparation method and application thereof | 昆明理工大学 | 2017-04-26 | — | — | CN | disclosed |