Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 9/20 | 0.45 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.44 |
| ▸ | GABRP | O00591 | 2/20 | 0.43 |
| ▸ | GABRD | O14764 | 2/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.43 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.43 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.43 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.43 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.43 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.43 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.43 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.43 |
| ▸ | GABRE | P78334 | 2/20 | 0.43 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.43 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.43 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.43 |
| ▸ | GABRQ | Q9UN88 | 2/20 | 0.43 |
| ▸ | NNMT | P40261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21848282 | 0.87 | NOTUM (0.50) | NOTUM | |
| SCHEMBL19441162 | 0.87 | NOTUM (0.50) | NOTUM | |
| SCHEMBL16398202 | 0.84 | NEK2 (0.52) | NOTUMTRPC6NEK2 | |
| SCHEMBL1394162 | 0.80 | CHRNB2 (0.42) | CHRNB2CHRNA4GABRPGABRDGABRA1 | |
| SCHEMBL25187395 | 0.80 | DPP4 (0.41) | CHRNB2CHRNA4 | |
| SCHEMBL29742016 | 0.80 | CHRNB2 (0.45) | CHRNB2CHRNA4GABRPGABRDGABRA1 | |
| SCHEMBL162438 | 0.80 | CHRNB2 (0.45) | CHRNB2CHRNA4GABRPGABRDGABRA1 | |
| SCHEMBL25191769 | 0.79 | TRPC6 (0.43) | CHRNB2CHRNA4GABRPGABRDGABRA1 | |
| SCHEMBL30630187 | 0.79 | CHRNB2 (0.47) | CHRNB2CHRNA4GABRPGABRDGABRA1 | |
| SCHEMBL23089250 | 0.79 | CHRNB2 (0.44) | CHRNB2CHRNA4GABRPGABRDGABRA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114507215-B | Compound serving as PAK4 kinase inhibitor and preparation method and application thereof | 成都海博为药业有限公司 | 2024-09-13 | — | — | CN | disclosed |
| CN-114507215-A | Compound serving as PAK4 kinase inhibitor and preparation method and application thereof | 成都海博为药业有限公司 | 2022-05-17 | — | — | CN | disclosed |