Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 7/20 | 0.48 |
| ▸ | RAB9A | P51151 | 7/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 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 | |
|---|---|---|---|---|
| SCHEMBL28214996 | 0.85 | NPC1 (0.48) | NPC1RAB9AALDH1A1LMNAMAPT | |
| SCHEMBL14466949 | 0.83 | GSK3B (0.52) | GSK3BNPC1RAB9AKMT2AALDH1A1 | |
| SCHEMBL34473284 | 0.83 | MEN1 (0.38) | GSK3BNPC1RAB9AKMT2AMEN1 | |
| SCHEMBL13817452 | 0.83 | NPC1 (0.50) | NPC1RAB9AKMT2AMEN1CES2 | |
| SCHEMBL14164584 | 0.83 | TPMT (0.42) | GSK3BNPC1RAB9AKMT2AMEN1 | |
| SCHEMBL13857466 | 0.83 | GSK3B (0.55) | GSK3BNPC1RAB9AKMT2AMEN1 | |
| SCHEMBL13525672 | 0.82 | KMT2A (0.50) | GSK3BNPC1RAB9AKMT2AMEN1 | |
| SCHEMBL14922097 | 0.82 | HDAC3 (0.59) | GSK3BNPC1RAB9AALDH1A1LMNA | |
| SCHEMBL26915349 | 0.82 | TDP1 (0.52) | NPC1RAB9AKMT2AMEN1ALDH1A1 | |
| SCHEMBL14270160 | 0.81 | GSR (0.50) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110511192-B | Benzamide compound and synthesis method thereof | 武汉工程大学 | 2023-03-31 | — | — | CN | claimed |
| CN-110511193-B | Alpha-ketothioamide compound and synthetic method thereof | 武汉工程大学 | 2023-03-21 | — | — | CN | claimed |
| CN-110511193-B | Alpha-ketothioamide compound and synthetic method thereof | 武汉工程大学 | 2023-03-21 | — | — | CN | disclosed |