Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | CA12 | O43570 | 2/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | MMP2 | P08253 | 1/20 | 0.45 |
| ▸ | MMP3 | P08254 | 1/20 | 0.45 |
| ▸ | MMP13 | P45452 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | GBA1 | P04062 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30667707 | 0.87 | CA12 (0.58) | CYP19A1KMT2AALDH1A1CA12CA9 | |
| SCHEMBL30667700 | 0.85 | ALDH1A1 (0.58) | CYP19A1KMT2AALDH1A1CA12CA9 | |
| SCHEMBL26234061 | 0.77 | ALDH1A1 (0.50) | ALDH1A1MMP2MMP3MMP13CYP2C19 | |
| SCHEMBL28641212 | 0.76 | ALDH1A1 (0.62) | CYP19A1KMT2AALDH1A1MMP2MMP3 | |
| SCHEMBL19466252 | 0.75 | ALDH1A1 (0.61) | CYP19A1KMT2AALDH1A1CA12CA9 | |
| SCHEMBL28529020 | 0.74 | MMP2 (0.54) | KMT2AALDH1A1CA12CA9CA2 | |
| SCHEMBL10223361 | 0.74 | ALDH1A1 (0.56) | CYP19A1KMT2AALDH1A1CA12CA9 | |
| SCHEMBL30725838 | 0.74 | HKDC1 (0.47) | CYP19A1KMT2AALDH1A1CA12CA9 | |
| SCHEMBL30100612 | 0.73 | SLC16A3 (0.55) | ALDH1A1CA12CA9CA1CA2 | |
| SCHEMBL38662985 | 0.72 | POLB (0.55) | KMT2ACA12CA9CA1CA2 |
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-117186007-A | Condensed ring hydrogenated isoquinoline compound and preparation method and application thereof | 中南民族大学 | 2023-12-08 | — | — | CN | disclosed |