Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 2/20 | 0.54 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.54 |
| ▸ | CISD2 | Q8N5K1 | 5/20 | 0.47 |
| ▸ | LDHA | P00338 | 3/20 | 0.45 |
| ▸ | LDHB | P07195 | 3/20 | 0.45 |
| ▸ | ALB | P02768 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6996573 | 0.80 | MAPT (0.57) | CISD2MAPTRAB9ANPC1GAA | |
| SCHEMBL12430226 | 0.80 | KDM4E (0.43) | MCL1MAPTRAB9ANPC1LMNA | |
| SCHEMBL21260705 | 0.80 | KIF11 (0.40) | MCL1BCL2L1MAPTGAAALDH1A1 | |
| SCHEMBL2206020 | 0.75 | MCL1 (0.49) | MCL1MAPTLMNAGAAALDH1A1 | |
| SCHEMBL15619574 | 0.72 | MCL1 (0.71) | MCL1BCL2L1LDHALDHBMAPT | |
| SCHEMBL417349 | 0.70 | MCL1 (1.00) | MCL1BCL2L1MAPTRAB9ANPC1 | |
| SCHEMBL7728937 | 0.70 | MCL1 (0.67) | MCL1BCL2L1MAPTRAB9ANPC1 | |
| SCHEMBL4277521 | 0.70 | MCL1 (0.67) | MCL1BCL2L1MAPTRAB9ANPC1 | |
| SCHEMBL6991094 | 0.70 | CISD2 (0.51) | CISD2MAPTLMNAGAAALDH1A1 | |
| SCHEMBL10111001 | 0.69 | MCL1 (0.53) | MCL1BCL2L1LDHALDHBMAPT |
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-104470931-B | Substituted benzothiophene pyrimidine | 拜耳医药股份有限公司 | 2016-10-26 | — | — | CN | disclosed |