Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | ATM | Q13315 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.35 |
| ▸ | CCR1 | P32246 | 2/20 | 0.35 |
| ▸ | CCR8 | P51685 | 2/20 | 0.35 |
| ▸ | CCR5 | P51681 | 1/20 | 0.34 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.34 |
| ▸ | COPS5 | Q92905 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19121794 | 0.84 | KDM4E (0.40) | SLC22A12ALDH1A1KDM4EATMCYP1A2 | |
| SCHEMBL16344395 | 0.78 | MEN1 (0.43) | ALDH1A1KDM4EATMCYP1A2CYP3A4 | |
| SCHEMBL8324162 | 0.74 | CCR1 (0.43) | SLC22A12ALDH1A1KDM4EATMCYP1A2 | |
| Ammonia Solution, Strong SCHEMBL28471192 | 0.73 | CCR1 (0.42) | SLC22A12ALDH1A1KDM4EATMCYP1A2 | |
| SCHEMBL19233630 | 0.73 | ALDH1A1 (0.40) | SLC22A12ALDH1A1KDM4EATMCYP1A2 | |
| SCHEMBL18525407 | 0.73 | ALDH1A1 (0.40) | SLC22A12ALDH1A1KDM4EATMCYP1A2 | |
| SCHEMBL18525218 | 0.73 | PSMD14 (0.44) | SLC22A12ALDH1A1KDM4EATMCYP1A2 | |
| SCHEMBL19121164 | 0.70 | KDM4E (0.47) | ALDH1A1KDM4EATMCYP1A2CYP3A4 | |
| SCHEMBL31298639 | 0.69 | KDM4E (0.42) | SLC22A12ALDH1A1KDM4EATMCYP1A2 | |
| SCHEMBL13236069 | 0.69 | KDM4E (0.42) | ALDH1A1KDM4EATMCYP1A2CYP3A4 |
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-112279849-A | N-difluoromethyl azaindole compound and synthesis method thereof | 丽水学院 | 2021-01-29 | — | — | CN | disclosed |