Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | MCL1 | Q07820 | 5/20 | 0.45 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.40 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.40 |
| ▸ | BCL2 | P10415 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL18184325 | 0.87 | TEAD4 (0.50) | MAOAKDM4EMCL1ALDH1A1SMN1; SMN2 | |
| SCHEMBL21548254 | 0.83 | ALDH1A1 (0.64) | MAOAMAOBKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL20415865 | 0.83 | KDM4E (0.44) | MAOAKDM4EMCL1ALDH1A1SMN1; SMN2 | |
| SCHEMBL20415866 | 0.83 | LTA4H (0.52) | MAOAMAOBKDM4EMCL1SMN1; SMN2 | |
| SCHEMBL29601876 | 0.83 | HTR2A (0.53) | MAOAMAOBKDM4ESCN9AALDH1A1 | |
| SCHEMBL6436949 | 0.83 | HTR2A (0.53) | MAOAMAOBKDM4ESCN9AALDH1A1 | |
| SCHEMBL20412261 | 0.82 | KDM4E (0.42) | KDM4EMCL1ALDH1A1SMN1; SMN2 | |
| SCHEMBL10599282 | 0.81 | HTR2A (0.54) | MAOAMAOBKDM4EMCL1SCN9A | |
| SCHEMBL24283599 | 0.80 | SLC6A4 (0.44) | KDM4EMCL1ALDH1A1SMN1; SMN2CYP1A2 | |
| SCHEMBL17149393 | 0.80 | SMN1; SMN2 (0.46) | KDM4EMCL1SMN1; SMN2HPGDCYP2C19 |
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-106456602-B | Substituted indole MCL-1 inhibitors | 范德比尔特大学 | 2020-11-24 | — | — | CN | disclosed |