Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 2/20 | 0.42 |
| ▸ | AXL | P30530 | 1/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | METAP2 | P50579 | 3/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | PTGES | O14684 | 1/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.30 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.30 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.30 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
| ▸ | MET | P08581 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29583270 | 0.86 | NOS1 (0.42) | NOS1AXLDYRK1AMETAP2TRPA1 | |
| SCHEMBL23278530 | 0.85 | GAA (0.39) | DYRK1AMETAP2TRPA1GAAMET | |
| SCHEMBL29240313 | 0.79 | CYP11B2 (0.36) | METAP2CYP11B1CYP11B2 | |
| SCHEMBL31589231 | 0.79 | CYP11B2 (0.36) | METAP2CYP11B1CYP11B2 | |
| SCHEMBL31148280 | 0.78 | NOS1 (0.52) | NOS1AXLDYRK1AMETAP2CSNK2A1 | |
| SCHEMBL14553409 | 0.78 | NOS1 (0.52) | NOS1AXLDYRK1AMETAP2CSNK2A1 | |
| SCHEMBL15687490 | 0.72 | NOS1 (0.46) | NOS1AXLMETAP2IDO1HTT | |
| SCHEMBL30860972 | 0.72 | NOS1 (0.46) | NOS1AXLMETAP2IDO1HTT | |
| SCHEMBL3497181 | 0.72 | NOS1 (0.46) | NOS1AXLMETAP2IDO1 | |
| SCHEMBL29793750 | 0.72 | NOS1 (0.46) | NOS1AXLMETAP2IDO1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114853723-B | Preparation and application of indole compound BTK inhibitor | 药雅科技(上海)有限公司 | 2023-11-24 | — | — | CN | disclosed |
| CN-115141176-B | Acetylenic indole FGFR inhibitor and preparation method and application thereof | 药雅科技(上海)有限公司 | 2023-08-22 | — | — | CN | disclosed |
| CN-115141176-A | Alkyne-indole FGFR inhibitor and preparation method and application thereof | 药雅科技(上海)有限公司 | 2022-10-04 | — | — | CN | disclosed |
| CN-114853723-A | Preparation and application of indole compound BTK inhibitor | 药雅科技(上海)有限公司 | 2022-08-05 | — | — | CN | disclosed |
| WO-2018092047-A1 | INHIBITORS OF BRUTON'S TYROSINE KINASE | JOINT STOCK COMPANY "BIOCAD" (RU) | 2018-05-24 | — | — | WO | disclosed |