Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | MEN1 | O00255 | 5/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.39 |
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 5/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | HPGD | P15428 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | STAT1 | P42224 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | PDK1 | Q15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL30410851 | 0.83 | KDR (0.44) | ALDH1A1NPC1RAB9AMAPTHSD17B10 | |
| SCHEMBL30309821 | 0.78 | NPC1 (0.44) | ALDH1A1MEN1KMT2ANPC1RAB9A | |
| SCHEMBL30411261 | 0.74 | POLB (0.33) | ALDH1A1MEN1KMT2ANPC1RAB9A | |
| SCHEMBL30395502 | 0.72 | GPR119 (0.47) | ALDH1A1KDM4EHTTL3MBTL1 | |
| SCHEMBL30184314 | 0.69 | NPC1 (0.43) | ALDH1A1MEN1KMT2ANPC1RAB9A | |
| SCHEMBL30395140 | 0.69 | KDM4E (0.38) | ALDH1A1NPC1RAB9AMAPTHSD17B10 | |
| SCHEMBL30411359 | 0.67 | KDM4E (0.41) | ALDH1A1KMT2ANPC1RAB9AMAPT | |
| SCHEMBL28675901 | 0.66 | AR (0.53) | ALDH1A1MEN1KMT2AMAPTTSHR | |
| SCHEMBL30395415 | 0.65 | KDM4E (0.36) | ALDH1A1NPC1RAB9AMAPTHSD17B10 | |
| SCHEMBL25414951 | 0.63 | PDE11A (0.36) | ALDH1A1MEN1KMT2ANPC1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023078267-A1 | AMINO-CONTAINING MACROCYCLIC COMPOUND AS PROTEIN KINASE MODULATOR | 赛诺哈勃药业（成都）有限公司 | 2023-05-11 | — | — | WO | disclosed |