Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 9/20 | 0.51 |
| ▸ | CYP19A1 | P11511 | 9/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.36 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | TDO2 | P48775 | 1/20 | 0.34 |
| ▸ | CASP6 | P55212 | 1/20 | 0.34 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22490611 | 1.00 | NQO2 (0.51) | NQO2CYP19A1KDM4EMAPTKAT2B | |
| SCHEMBL4328945 | 0.81 | NQO2 (0.51) | NQO2CYP19A1KDM4EMAPTKAT2B | |
| SCHEMBL21820274 | 0.81 | NQO2 (0.51) | NQO2CYP19A1KDM4EKAT2BBRD9 | |
| SCHEMBL21820270 | 0.75 | NQO2 (0.46) | NQO2CYP19A1KDM4EMAPTKAT2B | |
| SCHEMBL29712035 | 0.75 | NQO2 (0.46) | NQO2CYP19A1KDM4EMAPTKAT2B | |
| SCHEMBL21820236 | 0.74 | NQO2 (0.45) | NQO2CYP19A1KDM4EKAT2BBRD9 | |
| SCHEMBL12998227 | 0.74 | NQO2 (0.51) | NQO2CYP19A1KDM4EMAPTKAT2B | |
| SCHEMBL4330683 | 0.73 | NQO2 (0.45) | NQO2CYP19A1KDM4EMAPTKAT2B | |
| SCHEMBL11217793 | 0.73 | MAPT (0.67) | NQO2CYP19A1KDM4EMAPTALDH1A1 | |
| SCHEMBL30448891 | 0.73 | BRPF1 (0.40) | MAPTKAT2BHIF1ABRD9 |
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-111527093-B | Antibacterial heterocyclic compounds and synthesis thereof | 巴格沃克斯研究有限公司 | 2023-06-09 | — | — | CN | disclosed |