Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 3/20 | 0.46 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 4/20 | 0.45 |
| ▸ | CA1 | P00915 | 4/20 | 0.45 |
| ▸ | CA2 | P00918 | 4/20 | 0.45 |
| ▸ | CA9 | Q16790 | 4/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALPL | P05186 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | EDNRB | P24530 | 1/20 | 0.40 |
| ▸ | EDNRA | P25101 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL15853175 | 0.82 | ADRA2C (0.54) | MCL1ACMSDCA1CA2KDM4E | |
| SCHEMBL3780798 | 0.82 | MCL1 (0.43) | MCL1ACMSDCA12CA1CA2 | |
| SCHEMBL29628903 | 0.80 | MCL1 (0.53) | MCL1ACMSDCA12CA1CA2 | |
| SCHEMBL14036308 | 0.80 | MCL1 (0.53) | MCL1ACMSDCA12CA1CA2 | |
| SCHEMBL10051180 | 0.77 | ADRA2C (0.49) | MCL1ACMSDCA12CA1CA2 | |
| SCHEMBL16796022 | 0.77 | MCL1 (0.50) | MCL1ACMSDCA12CA1CA2 | |
| SCHEMBL5217572 | 0.76 | CYP2A6 (0.52) | — | |
| SCHEMBL316112 | 0.76 | TNF (0.57) | MCL1ACMSDCA12CA1CA2 | |
| SCHEMBL29234297 | 0.76 | CYP2C9 (0.53) | MCL1ACMSDCA12CA1CA2 | |
| SCHEMBL7905209 | 0.76 | MCL1 (0.50) | MCL1ACMSDCA12CA1CA2 |
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-109912503-A | A kind of synthetic method of 2,3- diacyl quinolines | 江南大学 | 2019-06-21 | — | — | CN | disclosed |