Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 2/20 | 0.88 |
| ▸ | BCL2 | P10415 | 3/20 | 0.53 |
| ▸ | VCAM1 | P19320 | 3/20 | 0.53 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.51 |
| ▸ | PTGER4 | P35408 | 5/20 | 0.48 |
| ▸ | SLC25A1 | P53007 | 1/20 | 0.47 |
| ▸ | FBP1 | P09467 | 1/20 | 0.46 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.45 |
| ▸ | DNMT3A | Q9Y6K1 | 1/20 | 0.45 |
| ▸ | IDH1 | O75874 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CCR2 | P41597 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28431236 | 0.94 | MCL1 (1.00) | MCL1BCL2VCAM1BCL2L1PTGER4 | |
| SCHEMBL28423992 | 0.93 | MCL1 (0.85) | MCL1BCL2VCAM1BCL2L1PTGER4 | |
| SCHEMBL28421273 | 0.93 | MCL1 (0.85) | MCL1BCL2VCAM1BCL2L1PTGER4 | |
| SCHEMBL28429759 | 0.86 | MCL1 (0.67) | MCL1PTGER4IDH1 | |
| SCHEMBL28434112 | 0.84 | MCL1 (0.84) | MCL1BCL2PTGER4CCR2 | |
| SCHEMBL28424343 | 0.84 | MCL1 (0.63) | MCL1PTGER4CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL28430356 | 0.79 | MCL1 (0.65) | MCL1PTGER4SMN1; SMN2 | |
| SCHEMBL28429765 | 0.79 | MCL1 (0.65) | MCL1PTGER4NPSR1SMN1; SMN2 | |
| SCHEMBL28424028 | 0.77 | MCL1 (0.61) | MCL1BCL2PTGER4 | |
| SCHEMBL28424695 | 0.77 | MCL1 (0.61) | MCL1BCL2PTGER4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111423379-A | Substituted 3-indazole Mcl-1 protein inhibitor, preparation method and application | 湖南科技大学 | 2020-07-17 | — | — | CN | claimed |
| CN-111423379-B | Substituted 3-indazole Mcl-1 protein inhibitor, preparation method and application | 湖南科技大学 | 2021-08-03 | — | — | CN | disclosed |
| CN-111423379-A | Substituted 3-indazole Mcl-1 protein inhibitor, preparation method and application | 湖南科技大学 | 2020-07-17 | — | — | CN | disclosed |