Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 5/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL23966023 | 0.83 | ALDH1A1 (0.41) | ALDH1A1HPGDNPSR1KDM4EMEN1 | |
| SCHEMBL1950817 | 0.82 | USP2 (0.56) | ALDH1A1CYP1A2CYP2C19USP2HPGD | |
| SCHEMBL29143292 | 0.81 | ALDH1A1 (0.49) | ALDH1A1CYP1A2CYP2C19USP2HPGD | |
| SCHEMBL14722446 | 0.79 | ALDH1A1 (0.59) | ALDH1A1CYP1A2CYP2C19USP2HPGD | |
| SCHEMBL11785457 | 0.77 | MAPK1 (0.56) | ALDH1A1CYP1A2CYP2C19USP2HPGD | |
| SCHEMBL3643556 | 0.76 | KDM4E (0.62) | ALDH1A1CYP1A2CYP2C19USP2HPGD | |
| SCHEMBL177349 | 0.76 | ALDH1A1 (0.58) | ALDH1A1CYP1A2CYP2C19USP2HPGD | |
| SCHEMBL11396901 | 0.75 | CYP19A1 (0.47) | ALDH1A1KDM4EKMT2AMAPTPOLB | |
| SCHEMBL24133288 | 0.75 | USP2 (0.54) | ALDH1A1CYP1A2CYP2C19USP2HPGD | |
| SCHEMBL4763180 | 0.74 | ALDH1A1 (0.62) | ALDH1A1CYP1A2CYP2C19USP2HPGD |
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-117186001-A | AHA1 inhibitor with multiple myeloma-resisting activity and preparation method and application thereof | 南京中医药大学 | 2023-12-08 | — | — | CN | disclosed |