Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 1/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | DHFR | P00374 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL256095 | 0.94 | CHRNB2 (0.45) | CHRNB2CHRNA4LTA4HMAPTNPC1 | |
| SCHEMBL1109106 | 0.87 | CYP2D6 (0.47) | CHRNB2CHRNA4LTA4HHSD17B10MAPT | |
| SCHEMBL17825379 | 0.82 | NR5A1 (0.53) | LTA4HLMNAHTTHSD17B10MAPT | |
| SCHEMBL15740704 | 0.82 | NR5A1 (0.53) | LTA4HLMNAHTTHSD17B10MAPT | |
| SCHEMBL30692773 | 0.81 | HTR1B (0.53) | CHRNB2CHRNA4HTTALDH1A1 | |
| SCHEMBL22584951 | 0.81 | HTR1B (0.53) | CHRNB2CHRNA4HTTALDH1A1 | |
| SCHEMBL31038327 | 0.79 | NQO1 (0.54) | CHRNB2CHRNA4LTA4HMAPTNPC1 | |
| SCHEMBL165740 | 0.79 | NQO1 (0.54) | CHRNB2CHRNA4LTA4HMAPTNPC1 | |
| SCHEMBL2656538 | 0.78 | CHRNB2 (0.48) | CHRNB2CHRNA4 | |
| SCHEMBL29402916 | 0.78 | CHRNB2 (0.48) | CHRNB2CHRNA4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110167941-B | Substituted fused heteroaryl compounds as kinase inhibitors and uses thereof | 上海瑛派药业有限公司 | 2023-04-04 | — | — | CN | disclosed |