Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 5/20 | 0.49 |
| ▸ | BRD4 | O60885 | 5/20 | 0.42 |
| ▸ | ATAD2 | Q6PL18 | 5/20 | 0.42 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL21920699 | 0.93 | LRRK2 (0.51) | LRRK2BRD4ATAD2CHRM4KDM4E | |
| SCHEMBL23186839 | 0.89 | LRRK2 (0.54) | LRRK2PDE10A | |
| SCHEMBL15804262 | 0.81 | LRRK2 (0.51) | LRRK2BRD4ATAD2UTS2RCHRM4 | |
| SCHEMBL30082304 | 0.79 | LRRK2 (0.42) | LRRK2UTS2RALDH1A1CYP3A4 | |
| SCHEMBL23001463 | 0.79 | LRRK2 (0.42) | LRRK2BRD4ATAD2UTS2RKDM4E | |
| SCHEMBL29734745 | 0.79 | LRRK2 (0.42) | LRRK2BRD4ATAD2UTS2RKDM4E | |
| SCHEMBL18328240 | 0.79 | LRRK2 (0.42) | LRRK2UTS2RALDH1A1CYP3A4 | |
| SCHEMBL24375045 | 0.78 | LRRK2 (0.46) | LRRK2BRD4ATAD2UTS2RCHRM4 | |
| SCHEMBL23811387 | 0.78 | LRRK2 (0.42) | LRRK2BRD4ATAD2UTS2RCHRM4 | |
| SCHEMBL24375603 | 0.78 | LRRK2 (0.42) | LRRK2BRD4ATAD2UTS2R |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3878853-A1 | NITROGEN-CONTAINING FUSED HETEROCYCLIC SHP2 INHIBITOR COMPOUND, PREPARATION METHOD, AND USE | Shanghai Ringene BioPharma Co., Ltd. (CN) | 2021-09-15 | — | — | EP | disclosed |
| WO-2021115286-A1 | SIX-MEMBERED AND FIVE-MEMBERED AROMATIC RING DERIVATIVE CONTAINING NITROGEN HETEROATOMS WHICH CAN BE USED AS SHP2 INHIBITOR | 成都倍特药业股份有限公司 | 2021-06-17 | — | — | WO | disclosed |
| WO-2021028362-A1 | SHP2 INHIBITORS | IRBM S.P.A. (IT) | 2021-02-18 | — | — | WO | disclosed |
| WO-2020063760-A1 | NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS | JACOBIO PHARMACEUTICALS CO., LTD. (CN) | 2020-04-02 | — | — | WO | disclosed |