Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | TACR1 | P25103 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | STS | P08842 | 1/20 | 0.35 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.35 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.35 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22115159 | 0.81 | ALDH1A1 (0.44) | ALDH1A1CHRM1CHRM3SMN1; SMN2HPGD | |
| SCHEMBL22115190 | 0.79 | F10 (0.48) | ALDH1A1SMN1; SMN2TACR1SLC6A2SLC6A4 | |
| SCHEMBL22115632 | 0.77 | HTT (0.43) | ALDH1A1EPHX1CHRM1CHRM3SMN1; SMN2 | |
| SCHEMBL22115211 | 0.73 | KHK (0.44) | ALDH1A1HTR2CHPGD | |
| SCHEMBL22115668 | 0.73 | STS (0.61) | MEN1KMT2AALDH1A1CHRM1CHRM3 | |
| SCHEMBL22115187 | 0.70 | SLC6A2 (0.43) | ALDH1A1GAASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL172079 | 0.68 | ALDH1A1 (0.68) | MEN1KMT2AALDH1A1CHRM1CHRM3 | |
| SCHEMBL30298771 | 0.68 | CHRM1 (0.65) | MEN1KMT2AALDH1A1CHRM1CHRM3 | |
| Hydrochloric Acid SCHEMBL30164247 | 0.67 | ALDH1A1 (0.67) | MEN1KMT2AALDH1A1CHRM1CHRM3 | |
| SCHEMBL13390936 | 0.66 | MEN1 (0.54) | MEN1KMT2ACHRM1CHRM3SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020119590-A1 | 3-CYANOPYRIDINE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USES THEREOF. | 中国科学院上海药物研究所 | 2020-06-18 | — | — | WO | disclosed |