Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE1A | P54750 | 2/20 | 0.43 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.43 |
| ▸ | PDE1C | Q14123 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | PDE6D | O43924 | 6/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28483909 | 0.82 | KMT2A (0.52) | PDE1APDE1BPDE1CSMN1; SMN2MAPT | |
| SCHEMBL28489555 | 0.81 | PDE6D (0.55) | SMN1; SMN2MAPTTP53GAAALDH1A1 | |
| SCHEMBL28478382 | 0.80 | PDE6D (0.51) | PDE1APDE1BPDE1CSMN1; SMN2MAPT | |
| SCHEMBL28489680 | 0.79 | SMN1; SMN2 (0.49) | PDE1APDE1BPDE1CSMN1; SMN2MAPT | |
| SCHEMBL28485108 | 0.74 | PDE6D (0.59) | GAAALDH1A1MEN1KMT2APDE6D | |
| SCHEMBL28901544 | 0.73 | MEN1 (0.43) | SMN1; SMN2MAPTTP53GAAALDH1A1 | |
| SCHEMBL28482114 | 0.73 | TSHR (0.51) | SMN1; SMN2MAPTTP53GAAALDH1A1 | |
| SCHEMBL28478423 | 0.71 | PDE6D (0.57) | PDE1APDE1BPDE1CALDH1A1NPSR1 | |
| SCHEMBL1104386 | 0.68 | ALDH1A1 (0.59) | SMN1; SMN2MAPTTP53GAAALDH1A1 | |
| SCHEMBL22198886 | 0.67 | MTNR1A (0.40) | SMN1; SMN2MAPTTP53ALDH1A1HPGD |
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 |