Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | KDR | P35968 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | PTGER3 | P43115 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.47 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | PDE6D | O43924 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28482112 | 0.83 | PDE6D (0.60) | TSHRTP53KDRKMT2APTGER3 | |
| SCHEMBL28483909 | 0.81 | KMT2A (0.52) | TSHRTP53KMT2AMEN1KDM4E | |
| SCHEMBL28478382 | 0.81 | PDE6D (0.51) | TSHRTP53KMT2AMEN1ALDH1A1 | |
| SCHEMBL28489680 | 0.77 | SMN1; SMN2 (0.49) | TP53KMT2AMEN1KDM4EALDH1A1 | |
| SCHEMBL28478423 | 0.76 | PDE6D (0.57) | KMT2AMEN1ALDH1A1HIF1ANTRK1 | |
| SCHEMBL28489558 | 0.73 | PDE1A (0.43) | TP53KMT2AMEN1KDM4EALDH1A1 | |
| SCHEMBL4117916 | 0.70 | TP53 (0.76) | TSHRTP53KMT2AMEN1ALDH1A1 | |
| SCHEMBL14442613 | 0.70 | TP53 (0.84) | TSHRTP53KMT2AMEN1ALDH1A1 | |
| SCHEMBL21295338 | 0.69 | TP53 (0.83) | TSHRTP53KMT2AMEN1ALDH1A1 | |
| SCHEMBL4105995 | 0.68 | TP53 (0.81) | TSHRTP53KMT2AMEN1ALDH1A1 |
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 |