Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 1/20 | 0.50 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | MGAM | O43451 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SI | P14410 | 1/20 | 0.42 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | METAP1 | P53582 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | SYK | P43405 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2248431 | 0.87 | PDPK1 (0.43) | PDPK1LOXL2CYP2A6MGAMGAA | |
| SCHEMBL11402984 | 0.87 | PTGES (0.44) | PDPK1LOXL2CYP2A6MGAMGAA | |
| SCHEMBL10446010 | 0.83 | PDPK1 (0.40) | PDPK1LOXL2CYP2A6MGAMGAA | |
| SCHEMBL30960727 | 0.82 | ALB (0.45) | PDPK1MGAMGAASIMGAM2 | |
| SCHEMBL29228633 | 0.82 | ALB (0.45) | PDPK1MGAMGAASIMGAM2 | |
| SCHEMBL27718200 | 0.81 | PDE10A (0.40) | PDPK1MGAMGAASIMGAM2 | |
| SCHEMBL8567274 | 0.79 | PDPK1 (0.55) | PDPK1LOXL2CYP2A6MGAMGAA | |
| SCHEMBL31055003 | 0.77 | PDPK1 (0.52) | PDPK1LOXL2CYP2A6GAARAB9A | |
| SCHEMBL252303 | 0.76 | PDPK1 (0.47) | PDPK1LOXL2CYP2A6RAB9AHSP90AA1 | |
| SCHEMBL4582141 | 0.75 | ADORA2A (0.42) | PDPK1MGAMGAASIMGAM2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4028396-B1 | PROCESS FOR THE PREPARATION OF A MEDICAMENT CONTAINING AN OXEPANE RING. | HOFFMANN LA ROCHE (CH) | 2024-01-03 | — | — | EP | claimed |
| CN-108715590-B | Thiazolecarboxamide and picolinamide compounds useful as PIM kinase inhibitors | 因赛特公司 | 2022-03-08 | — | — | CN | disclosed |
| CN-106573927-B | Oxyclohepten-2-yl-pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use | 豪夫迈·罗氏有限公司 | 2019-09-27 | — | — | CN | disclosed |
| CN-108863977-A | The class diphenyl ethene compounds and its synthetic method of a kind of thiazole ring containing bromo and application | 浙江工业大学 | 2018-11-23 | — | — | CN | disclosed |
| CN-108373476-A | A kind of kinase inhibitor and its preparation and application | 成都地奥制药集团有限公司 | 2018-08-07 | — | — | CN | disclosed |
| CN-104334546-B | Novel ring-substituted N-pyridyl amides as kinase inhibitors | 诺华股份有限公司 | 2017-05-03 | — | — | CN | disclosed |
| CN-106573927-A | Oxyclohepten-2-yl-pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use | 豪夫迈·罗氏有限公司 | 2017-04-19 | — | — | CN | disclosed |
| CN-102227423-B | Fungicidal heterocyclic compounds | DU PONT | 2015-06-17 | — | — | CN | disclosed |