Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 6/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL30132787 | 0.85 | CYP19A1 (0.52) | ALDH1A1KDM4ETDP1HPGDL3MBTL1 | |
| SCHEMBL7661772 | 0.81 | KDM4E (0.73) | ALDH1A1KDM4ETDP1HPGDL3MBTL1 | |
| SCHEMBL7661776 | 0.81 | KDM4E (0.73) | ALDH1A1KDM4ETDP1HPGDL3MBTL1 | |
| SCHEMBL28581666 | 0.80 | KDM4E (0.67) | ALDH1A1KDM4ETDP1HPGDL3MBTL1 | |
| SCHEMBL2528748 | 0.77 | ALDH1A1 (0.49) | ALDH1A1KDM4ETDP1HPGDL3MBTL1 | |
| SCHEMBL2528750 | 0.77 | ALDH1A1 (0.49) | ALDH1A1KDM4ETDP1HPGDL3MBTL1 | |
| SCHEMBL28250731 | 0.77 | KDM4E (0.49) | ALDH1A1KDM4ETDP1HPGDL3MBTL1 | |
| SCHEMBL28250730 | 0.77 | KDM4E (0.49) | ALDH1A1KDM4ETDP1HPGDL3MBTL1 | |
| SCHEMBL6586281 | 0.75 | ACHE (0.54) | ALDH1A1KDM4ETDP1HPGDCYP19A1 | |
| SCHEMBL6586280 | 0.75 | ACHE (0.54) | ALDH1A1KDM4ETDP1HPGDCYP19A1 |
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-115485271-A | Novel compounds as inhibitors of poly (ADP-ribose) polymerase (PARP) | 理森制药股份公司 | 2022-12-16 | — | — | CN | disclosed |