Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE6D | O43924 | 4/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | HTT | P42858 | 4/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | CNR2 | P34972 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | GHSR | Q92847 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28478381 | 0.84 | PDE6D (0.70) | PDE6DOPRK1KMT2AMEN1GHSR | |
| SCHEMBL28489677 | 0.84 | PDE6D (0.56) | PDE6DALDH1A1HTTMAPTHPGD | |
| SCHEMBL28489555 | 0.81 | PDE6D (0.55) | PDE6DALDH1A1HTTMAPTHPGD | |
| SCHEMBL28483626 | 0.80 | TSHR (0.64) | PDE6DALDH1A1MAPTOPRK1KDM4E | |
| SCHEMBL28482112 | 0.80 | PDE6D (0.60) | PDE6DALDH1A1HTTMAPTSMN1; SMN2 | |
| SCHEMBL1104386 | 0.78 | ALDH1A1 (0.59) | ALDH1A1HTTMAPTHPGDSMN1; SMN2 | |
| SCHEMBL28483909 | 0.78 | KMT2A (0.52) | PDE6DALDH1A1HTTMAPTHPGD | |
| SCHEMBL14195583 | 0.77 | KDM4E (0.52) | PDE6DALDH1A1HTTMAPTHPGD | |
| SCHEMBL28481502 | 0.76 | KEAP1 (0.55) | PDE6DALDH1A1MAPTGHSR | |
| SCHEMBL1104393 | 0.73 | MAPT (0.53) | PDE6DALDH1A1HTTMAPTHPGD |
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-111875583-B | Triazole derivative and preparation method and application thereof | 中国科学院上海药物研究所 | 2021-06-15 | — | — | CN | disclosed |
| CN-109666022-B | Triazole derivative and preparation method and application thereof | 中国科学院上海药物研究所 | 2021-06-15 | — | — | CN | disclosed |
| CN-111875583-A | Triazole derivative and preparation method and application thereof | 中国科学院上海药物研究所 | 2020-11-03 | — | — | CN | disclosed |