Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCL2 | P10415 | 17/20 | 0.62 |
| ▸ | MCL1 | Q07820 | 13/20 | 0.62 |
| ▸ | BCL2L1 | Q07817 | 6/20 | 0.62 |
| ▸ | BCL2L11 | O43521 | 2/20 | 0.58 |
| ▸ | MAOA | P21397 | 1/20 | 0.54 |
| ▸ | MAOB | P27338 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | RGS12 | O14924 | 1/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | PARP1 | P09874 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | APEX1 | P27695 | 1/20 | 0.49 |
| ▸ | CASP1 | P29466 | 1/20 | 0.49 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL11674909 | 0.78 | BCL2 (0.59) | BCL2MCL1BCL2L1BCL2L11MAOA | |
| SCHEMBL2524513 | 0.77 | MCL1 (0.60) | BCL2MCL1BCL2L1BCL2L11 | |
| SCHEMBL29695632 | 0.76 | BCL2 (0.60) | BCL2MCL1BCL2L1BCL2L11MEN1 | |
| Trifluoromethanesulfonic Acid SCHEMBL17726790 | 0.76 | BCL2 (0.51) | BCL2MCL1BCL2L1BCL2L11MAOA | |
| SCHEMBL11060440 | 0.75 | BCL2 (0.50) | BCL2MCL1BCL2L1BCL2L11MAOA | |
| SCHEMBL11809624 | 0.75 | BCL2 (0.50) | BCL2MAOAMAOBMEN1USP2 | |
| SCHEMBL17726858 | 0.73 | BCL2 (0.48) | BCL2MCL1BCL2L1BCL2L11MAOA | |
| SCHEMBL30517110 | 0.73 | POLB (0.62) | NPSR1MEN1RGS12USP2CYP1A2 | |
| SCHEMBL1888975 | 0.73 | POLB (0.62) | NPSR1MEN1RGS12USP2CYP1A2 | |
| SCHEMBL2367193 | 0.71 | MCL1 (0.68) | BCL2MCL1BCL2L1BCL2L11 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019201123-A1 | MULTIFUNCTIONAL COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN PHARMACEUTICALS | 四川科伦博泰生物医药股份有限公司 | 2019-10-24 | — | — | WO | disclosed |