Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | IKBKB | O14920 | 1/20 | 0.35 |
| ▸ | CHUK | O15111 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28482466 | 0.85 | SMN1; SMN2 (0.44) | SMN1; SMN2SIRT6LMNAALDH1A1HSD11B1 | |
| SCHEMBL28478897 | 0.83 | ALDH1A1 (0.40) | SMN1; SMN2PKMLMNAALDH1A1MEN1 | |
| SCHEMBL29202922 | 0.82 | MAPT (0.52) | MAPTLMNAALDH1A1KMT2A | |
| SCHEMBL28482437 | 0.81 | ALDH1A1 (0.43) | SMN1; SMN2PKMLMNAALDH1A1KMT2A | |
| SCHEMBL29202905 | 0.81 | TRPV4 (0.40) | SMN1; SMN2MAPTLMNAALDH1A1MEN1 | |
| SCHEMBL28473264 | 0.77 | NPC1 (0.42) | MAPTPKMLMNAALDH1A1MEN1 | |
| SCHEMBL1871493 | 0.68 | MAPT (0.63) | SMN1; SMN2ADRB1SIRT6MAPTPKM | |
| Trifluoroacetic Acid SCHEMBL25303672 | 0.68 | ALDH1A1 (0.54) | SMN1; SMN2ADRB1SIRT6MAPTIKBKB | |
| SCHEMBL28474493 | 0.67 | HTT (0.47) | SMN1; SMN2ALDH1A1MEN1KMT2AL3MBTL1 | |
| SCHEMBL28485486 | 0.67 | HTT (0.47) | SMN1; SMN2SIRT6MAPTLMNAALDH1A1 |
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-111918864-A | Prodrug compounds activated by AKR1C3 and their use to treat hyperproliferative disorders | 阿基利斯医疗有限公司 | 2020-11-10 | — | — | CN | disclosed |