Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 3/20 | 0.49 |
| ▸ | METAP2 | P50579 | 1/20 | 0.49 |
| ▸ | GRM5 | P41594 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HK1 | P19367 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.44 |
| ▸ | MGAM | O43451 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | SI | P14410 | 2/20 | 0.43 |
| ▸ | MGAM2 | Q2M2H8 | 2/20 | 0.43 |
| ▸ | BIRC5 | O15392 | 1/20 | 0.42 |
| ▸ | KMO | O15229 | 2/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | SYK | P43405 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4227 | 0.86 | KMO (0.49) | IDO1GRM5ALDH1A1MAPTHPGD | |
| SCHEMBL25118560 | 0.85 | IDO1 (0.55) | IDO1GRM5MAPTKMOBCHE | |
| SCHEMBL1925061 | 0.85 | IDO1 (0.50) | IDO1METAP2GRM5ALDH1A1MAPT | |
| SCHEMBL18000549 | 0.83 | RAB9A (0.51) | IDO1METAP2GRM5ALDH1A1MAPT | |
| SCHEMBL27169637 | 0.81 | RAB9A (0.50) | IDO1METAP2GRM5ALDH1A1MAPT | |
| SCHEMBL14979564 | 0.80 | ASIC3 (0.47) | IDO1GRM5KMO | |
| SCHEMBL5934924 | 0.79 | ASIC3 (0.59) | GRM5ALDH1A1MAPTHPGDRAB9A | |
| SCHEMBL30610281 | 0.79 | CYP2A6 (0.57) | IDO1METAP2GRM5ALDH1A1MAPT | |
| SCHEMBL15533311 | 0.79 | KMO (0.42) | IDO1GRM5MAPTKMOBCHE | |
| SCHEMBL23525618 | 0.79 | CYP2A6 (0.57) | IDO1METAP2GRM5ALDH1A1MAPT |
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-104356053-B | Preparation method of 2-(3-halogen phenyl) pyridine derivative | 天津大学 | 2017-01-18 | — | — | CN | disclosed |