Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE6D | O43924 | 7/20 | 0.73 |
| ▸ | MEN1 | O00255 | 2/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.60 |
| ▸ | TSHR | P16473 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CPB1 | P15086 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.51 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL28478269 | 0.92 | PDE6D (0.73) | PDE6DMEN1KMT2ATSHRALDH1A1 | |
| SCHEMBL3904873 | 0.86 | TSHR (0.67) | PDE6DMEN1KMT2ATSHRALDH1A1 | |
| SCHEMBL28483515 | 0.85 | PDE6D (0.83) | PDE6DMEN1KMT2ATSHRALOX15 | |
| SCHEMBL28483626 | 0.85 | TSHR (0.64) | PDE6DMEN1KMT2ATSHRALDH1A1 | |
| SCHEMBL28478381 | 0.83 | PDE6D (0.70) | PDE6DMEN1KMT2AOPRK1 | |
| SCHEMBL28478382 | 0.81 | PDE6D (0.51) | PDE6DMEN1KMT2ATSHRALDH1A1 | |
| SCHEMBL28485108 | 0.80 | PDE6D (0.59) | PDE6DMEN1KMT2ATSHRALDH1A1 | |
| SCHEMBL4208335 | 0.79 | ALDH1A1 (0.77) | PDE6DMEN1KMT2ATSHRALDH1A1 | |
| SCHEMBL6411042 | 0.79 | ALDH1A1 (0.66) | PDE6DMEN1KMT2ATSHRALDH1A1 | |
| SCHEMBL6410833 | 0.78 | CYP3A4 (0.76) | MEN1KMT2ATSHRALDH1A1NPC1 |
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 |