Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.50 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 4/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.42 |
| ▸ | PIK3R1 | P27986 | 2/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29533424 | 1.00 | KDM4E (0.50) | KDM4EALDH1A1L3MBTL1KMT2APKM | |
| SCHEMBL3784836 | 0.87 | KDM4E (0.42) | KDM4EALDH1A1L3MBTL1KMT2APKM | |
| SCHEMBL12710373 | 0.86 | AKT1 (0.63) | KDM4EALDH1A1L3MBTL1KMT2APKM | |
| SCHEMBL3784838 | 0.84 | KDM4E (0.39) | KDM4EALDH1A1L3MBTL1KMT2APKM | |
| SCHEMBL1352350 | 0.82 | AKT1 (0.69) | AKT1AKT2 | |
| Hydrochloric Acid SCHEMBL1351578 | 0.81 | AKT1 (0.67) | AKT1AKT2 | |
| SCHEMBL3783327 | 0.79 | AKT1 (0.37) | KDM4EALDH1A1L3MBTL1KMT2APKM | |
| SCHEMBL3783328 | 0.79 | AKT1 (0.47) | KDM4EALDH1A1L3MBTL1PSMB5LMNA | |
| SCHEMBL5217367 | 0.77 | KDM4E (0.47) | KDM4EALDH1A1L3MBTL1KMT2APKM | |
| SCHEMBL28481963 | 0.77 | KDM4E (0.59) | KDM4EALDH1A1L3MBTL1KMT2APKM |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114269720-A | acetyl-CoA synthetase short chains2(ACSS2) Small molecule inhibitors of | 库拉德夫制药私人有限公司 | 2022-04-01 | — | — | CN | disclosed |
| WO-2021014415-A2 | SMALL MOLECULE INHIBITORS OF ACETYL COENZYME A SYNTHETASE SHORT CHAIN 2 (ACSS2) | CURADEV PHARMA PVT. LTD. (IN) | 2021-01-28 | — | — | WO | disclosed |