Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.62 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | METAP2 | P50579 | 1/20 | 0.51 |
| ▸ | CD38 | P28907 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL13740437 | 1.00 | PARP1 (0.66) | PARP1KDM4EMAPTGAAMETAP2 | |
| SCHEMBL31429914 | 0.83 | KDM4E (0.48) | PARP1KDM4EMAPTGAAALDH1A1 | |
| SCHEMBL4631555 | 0.82 | MCHR1 (0.54) | PARP1KDM4EGAAALDH1A1LMNA | |
| SCHEMBL12768665 | 0.82 | KDM4E (0.47) | PARP1KDM4EGAAALDH1A1LMNA | |
| SCHEMBL27772010 | 0.81 | PARP1 (0.72) | PARP1KDM4EMAPTGAAMETAP2 | |
| SCHEMBL5319765 | 0.81 | PARP1 (0.72) | PARP1KDM4EMAPTGAAMETAP2 | |
| SCHEMBL29412561 | 0.81 | PARP1 (0.72) | PARP1KDM4EMAPTGAAMETAP2 | |
| SCHEMBL10566270 | 0.80 | KDM4E (0.49) | PARP1KDM4EMAPTGAAMETAP2 | |
| SCHEMBL422282 | 0.79 | PARP1 (1.00) | PARP1MAPTGAAMETAP2CD38 | |
| SCHEMBL21816896 | 0.79 | PARP1 (0.70) | PARP1KDM4EMAPTGAAMETAP2 |
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-115232144-B | Nitrogen-containing condensed ring derivative, pharmaceutical composition, and preparation method and application thereof | 长春金赛药业有限责任公司 | 2024-04-02 | — | — | CN | disclosed |
| CN-115232144-A | Nitrogen-containing fused ring derivative, pharmaceutical composition, preparation method and application thereof | 长春金赛药业有限责任公司 | 2022-10-25 | — | — | CN | disclosed |