Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.39 |
| ▸ | TNF | P01375 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | PDE1A | P54750 | 1/20 | 0.38 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.38 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.38 |
| ▸ | PDE6D | O43924 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.36 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.36 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.36 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | CDK1 | P06493 | 1/20 | 0.36 |
| ▸ | YTHDC1 | Q96MU7 | 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 | |
|---|---|---|---|---|
| SCHEMBL14706783 | 0.84 | LMNA (0.52) | KMT2AMEN1LMNA | |
| SCHEMBL28346748 | 0.74 | AKR1B1 (0.46) | P2RX7LMNACYP11B1CYP11B2TNF | |
| SCHEMBL10130694 | 0.74 | HSP90AA1 (0.52) | KMT2AMEN1LMNAHSP90AA1HSP90AB1 | |
| SCHEMBL28477056 | 0.73 | MAPK1 (0.49) | KMT2AMEN1LMNA | |
| SCHEMBL4405905 | 0.71 | ALDH1A1 (0.57) | P2RX7KMT2AMEN1LMNA | |
| SCHEMBL2462610 | 0.70 | P2RX7 (0.50) | P2RX7CYP11B1CYP11B2TNFIDO1 | |
| SCHEMBL13996123 | 0.70 | CYP11B1 (0.45) | KMT2AMEN1LMNACYP11B1CYP11B2 | |
| SCHEMBL28480531 | 0.70 | PDE6D (0.46) | KMT2AMEN1LMNAPDE6DALOX5AP | |
| SCHEMBL12841485 | 0.68 | P2RX7 (0.45) | P2RX7LMNACYP11B1CYP11B2TNF | |
| SCHEMBL12841486 | 0.68 | P2RX7 (0.59) | P2RX7CYP11B1CYP11B2TNFIDO1 |
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 |