Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.50 |
| ▸ | BAD | Q92934 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | ALPL | P05186 | 1/20 | 0.50 |
| ▸ | RPA1 | P27694 | 1/20 | 0.50 |
| ▸ | CTRC | Q99895 | 3/20 | 0.49 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | DHODH | Q02127 | 2/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.46 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.44 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.43 |
| ▸ | GABRP | O00591 | 1/20 | 0.42 |
| ▸ | GABRD | O14764 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL30738328 | 1.00 | BCL2L1 (0.50) | BCL2L1BADCA12ALPLRPA1 | |
| Nitrous Acid SCHEMBL28598619 | 0.94 | CA12 (0.46) | BCL2L1BADCA12ALPLRPA1 | |
| SCHEMBL730762 | 0.88 | CTRC (0.60) | BCL2L1BADCA12ALPLRPA1 | |
| SCHEMBL18363001 | 0.85 | CTRC (0.61) | CTRCKDM4EMAPTDHODHADORA2A | |
| SCHEMBL476659 | 0.84 | CTRC (0.62) | ALPLCTRCMAP4K4KDM4EMAPT | |
| SCHEMBL19207281 | 0.81 | CA12 (0.54) | BCL2L1BADCA12ALPLRPA1 | |
| SCHEMBL28598616 | 0.80 | SCN9A (0.42) | KDM4EADORA2AADORA3ALDH1A1ADORA1 | |
| SCHEMBL10922370 | 0.79 | CTRC (0.77) | BCL2L1BADCA12ALPLRPA1 | |
| SCHEMBL31388676 | 0.75 | CTRC (0.66) | CTRCKDM4EALDH1A1MCL1 | |
| SCHEMBL6869717 | 0.74 | GABRP (0.56) | CA12KDM4EMAPTALDH1A1GABRP |
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-113166119-A | Substituted aryl compound and preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2021-07-23 | — | — | CN | disclosed |