Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.47 |
| ▸ | APP | P05067 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | MITF | O75030 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | XBP1 | P17861 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9588954 | 0.91 | ALDH1A1 (0.54) | KDM4EHRH3SMN1; SMN2APPRAB9A | |
| SCHEMBL12370704 | 0.89 | SMN1; SMN2 (0.51) | KDM4ESMN1; SMN2POLBKMT2ALMNA | |
| SCHEMBL11325754 | 0.88 | HRH3 (0.52) | KDM4EHRH3SMN1; SMN2APPRAB9A | |
| SCHEMBL12370724 | 0.86 | ALDH1A1 (0.51) | KDM4EHRH3SMN1; SMN2POLBKMT2A | |
| SCHEMBL12370708 | 0.83 | KDM4E (0.50) | KDM4ESMN1; SMN2POLBKMT2ALMNA | |
| SCHEMBL17024115 | 0.81 | SMN1; SMN2 (0.51) | KDM4EHRH3SMN1; SMN2APPRAB9A | |
| SCHEMBL11338395 | 0.81 | CHRNB2 (0.47) | MAOBAOC3ALDH1A1L3MBTL1 | |
| SCHEMBL6232531 | 0.81 | SMN1; SMN2 (0.50) | KDM4EHRH3SMN1; SMN2APPRAB9A | |
| SCHEMBL14028583 | 0.81 | KMT2A (0.47) | KDM4EHRH3SMN1; SMN2APPRAB9A | |
| SCHEMBL12370726 | 0.80 | ALDH1A1 (0.50) | KDM4EHRH3SMN1; SMN2POLBKMT2A |
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-114702399-A | 2-trifluoroalkyl-1, 4-naphthoquinone compound and synthetic method thereof | 信阳师范学院 | 2022-07-05 | — | — | CN | disclosed |