Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29131006 | 0.72 | ABL1 (0.37) | ALDH1A1TDP1MAPK1L3MBTL1CYP1A2 | |
| SCHEMBL29130920 | 0.69 | NPC1 (0.35) | ALDH1A1L3MBTL1LMNASMN1; SMN2NPC1 | |
| SCHEMBL30602432 | 0.69 | NPC1 (0.35) | ALDH1A1CYP1A2LMNASMN1; SMN2NPC1 | |
| SCHEMBL29130904 | 0.69 | NPC1 (0.35) | ALDH1A1CYP1A2LMNASMN1; SMN2NPC1 | |
| SCHEMBL30602335 | 0.69 | NPC1 (0.35) | ALDH1A1L3MBTL1LMNASMN1; SMN2NPC1 | |
| SCHEMBL15972319 | 0.69 | OPRK1 (0.39) | ALDH1A1TDP1MAPK1TSHRKDM4E | |
| SCHEMBL29130921 | 0.67 | ALDH1A1 (0.33) | ALDH1A1TDP1L3MBTL1CYP1A2CYP3A4 | |
| SCHEMBL30602408 | 0.67 | ALDH1A1 (0.33) | ALDH1A1TDP1L3MBTL1CYP1A2CYP3A4 | |
| SCHEMBL21768427 | 0.61 | MAPK1 (0.51) | ALDH1A1MAPK1L3MBTL1CYP1A2SMN1; SMN2 | |
| SCHEMBL1735647 | 0.59 | PRKCI (0.45) | ALDH1A1HTTCHRNB2CHRNA4KDM4E |
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-117069724-A | Fused ring compounds, pharmaceutical compositions and uses | 上海赛默罗德生物科技有限公司 | 2023-11-17 | — | — | CN | disclosed |