Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLK1 | P06870 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 3/20 | 0.31 |
| ▸ | NOS2 | P35228 | 3/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19932671 | 0.93 | NPC1 (0.32) | KLK1NPC1HTTRAB9ASMN1; SMN2 | |
| SCHEMBL25385808 | 0.78 | SMN1; SMN2 (0.42) | HTTSMN1; SMN2NOS3NOS2 | |
| SCHEMBL31423975 | 0.74 | ADORA2A (0.39) | NPC1HTTRAB9ASMN1; SMN2NOS3 | |
| SCHEMBL3711280 | 0.73 | ALOX5AP (0.41) | HTTNOS3NOS2 | |
| SCHEMBL25228489 | 0.69 | NOS2 (0.35) | NOS3NOS2 | |
| SCHEMBL30731229 | 0.68 | PTPN1 (0.35) | — | |
| SCHEMBL7843486 | 0.67 | LTA4H (0.56) | NPC1HTTRAB9ASMN1; SMN2NOS3 | |
| SCHEMBL24568101 | 0.67 | KLK1 (0.37) | KLK1 | |
| SCHEMBL1796382 | 0.66 | SMN1; SMN2 (0.35) | KLK1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL18338657 | 0.66 | — | — |
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-112601752-A | Novel inhibitors of MAP4K1 | 伊克诺斯科学公司 | 2021-04-02 | — | — | CN | disclosed |
| EP-3630778-A1 | NOVEL INHIBITORS OF MAP4K1 | Ichnos Sciences SA (CH) | 2020-04-08 | — | — | EP | disclosed |
| WO-2018215668-A1 | NOVEL INHIBITORS OF MAP4K1 | GLENMARK PHARMACEUTICALS S.A. (CH) | 2018-11-29 | — | — | WO | disclosed |