Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 12/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | BCL2 | P10415 | 2/20 | 0.38 |
| ▸ | BCL9 | O00512 | 1/20 | 0.38 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28845991 | 1.00 | MCL1 (0.44) | MCL1ALDH1A1LMNAMAPTBCL2 | |
| SCHEMBL28845988 | 1.00 | MCL1 (0.44) | MCL1ALDH1A1LMNAMAPTBCL2 | |
| SCHEMBL8278747 | 0.90 | MMP2 (0.45) | MCL1ALDH1A1LMNAMAPTBCL2 | |
| SCHEMBL6847018 | 0.88 | MCL1 (0.53) | MCL1ALDH1A1LMNAMAPTBCL2 | |
| SCHEMBL4313540 | 0.88 | MCL1 (0.53) | MCL1ALDH1A1LMNAMAPTBCL2 | |
| SCHEMBL4313544 | 0.88 | MCL1 (0.53) | MCL1ALDH1A1LMNAMAPTBCL2 | |
| SCHEMBL6847022 | 0.88 | MCL1 (0.53) | MCL1ALDH1A1LMNAMAPTBCL2 | |
| SCHEMBL7975831 | 0.88 | MCL1 (0.53) | MCL1ALDH1A1LMNAMAPTBCL2 | |
| SCHEMBL7975833 | 0.88 | MCL1 (0.53) | MCL1ALDH1A1LMNAMAPTBCL2 | |
| SCHEMBL18497575 | 0.82 | ALDH1A1 (0.54) | ALDH1A1LMNAMAPTBCL9CTNNB1 |
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-115073442-A | Disulfide bond-containing compound, preparation method thereof, pharmaceutical composition and application | 中国医学科学院药物研究所 | 2022-09-20 | — | — | CN | disclosed |