Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | XPO1 | O14980 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.45 |
| ▸ | MEN1 | O00255 | 4/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | SLC11A2 | P49281 | 2/20 | 0.43 |
| ▸ | CDK2 | P24941 | 2/20 | 0.43 |
| ▸ | ALKBH3 | Q96Q83 | 1/20 | 0.43 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.43 |
| ▸ | FLT3 | P36888 | 1/20 | 0.43 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28469900 | 0.99 | AURKA (0.46) | AURKAGAAXPO1KMT2AMEN1 | |
| Sulfuric Acid SCHEMBL28476950 | 0.95 | AURKA (0.43) | AURKAGAAXPO1KMT2AMEN1 | |
| SCHEMBL4631791 | 0.81 | AURKA (0.51) | AURKAGAAKMT2AMEN1TDP1 | |
| SCHEMBL1901874 | 0.80 | HTT (0.49) | GAAKMT2AMEN1NPC1CDK2 | |
| SCHEMBL28173059 | 0.76 | AURKA (0.56) | AURKAGAAKMT2AMEN1TDP1 | |
| SCHEMBL14822491 | 0.75 | KDM4E (0.45) | KMT2AKDM4E | |
| SCHEMBL6707197 | 0.75 | AHR (0.54) | KMT2AMEN1NPC1RAB9ASLC11A2 | |
| SCHEMBL7968338 | 0.73 | SLC11A2 (0.44) | AURKAKMT2AMEN1NPC1RAB9A | |
| SCHEMBL10718938 | 0.72 | LMNA (0.62) | GAAKMT2AMEN1TDP1NPC1 | |
| SCHEMBL6257457 | 0.71 | KDM4E (0.44) | GAAKMT2AKDM4E |
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-109311847-A | PYRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS | 卡尔维斯塔制药有限公司 | 2019-02-05 | — | — | CN | claimed |
| CN-111417629-A | Solid forms of plasma kallikrein inhibitors and salts thereof | 卡尔维斯塔制药有限公司 | 2020-07-14 | — | — | CN | disclosed |
| CN-109311847-A | PYRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS | 卡尔维斯塔制药有限公司 | 2019-02-05 | — | — | CN | disclosed |