Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.39 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.37 |
| ▸ | STAT3 | P40763 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10590473 | 0.86 | CYP11B2 (0.39) | KMT2AADRA2CMAOBCYP11B2TSHR | |
| SCHEMBL8472098 | 0.81 | CYP2A6 (0.48) | ADRA2CMAOBCYP11B2TSHRIDO1 | |
| SCHEMBL4935794 | 0.81 | ADRA2C (0.44) | ADRA2CMAOBCYP11B2TSHRIDO1 | |
| SCHEMBL4630258 | 0.80 | KMT2A (0.60) | KMT2AGABRA1GABRB2CYP11B2SLC6A4 | |
| SCHEMBL6162265 | 0.79 | MMP3 (0.45) | ADRA2CMAOBCYP11B2TSHRPTGDR2 | |
| SCHEMBL8632293 | 0.79 | KMT2A (0.46) | KMT2AGABRA1GABRB2 | |
| SCHEMBL11136713 | 0.78 | CYP11B2 (0.39) | ADRA2CGABRA1GABRB2CYP11B2 | |
| SCHEMBL28848262 | 0.78 | ADRA2C (0.49) | ADRA2CMAOBCYP11B2TSHRPTGDR2 | |
| SCHEMBL13873005 | 0.77 | KMT2A (0.44) | KMT2AGABRA1GABRB2SLC6A4 | |
| SCHEMBL8492143 | 0.77 | GABRA1 (0.52) | KMT2AGABRA1GABRB2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3124482-A1 | QUINOLINE DERIVATIVES AS SMO INHIBITORS | GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) | 2017-02-01 | — | — | EP | disclosed |