Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 3/20 | 0.85 |
| ▸ | BCL2 | P10415 | 6/20 | 0.49 |
| ▸ | BCL2L1 | Q07817 | 2/20 | 0.47 |
| ▸ | VCAM1 | P19320 | 3/20 | 0.45 |
| ▸ | PTGER4 | P35408 | 4/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.42 |
| ▸ | DNMT3A | Q9Y6K1 | 1/20 | 0.42 |
| ▸ | SLC25A1 | P53007 | 1/20 | 0.42 |
| ▸ | FBP1 | P09467 | 1/20 | 0.41 |
| ▸ | CCR2 | P41597 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28428367 | 0.93 | MCL1 (0.88) | MCL1BCL2BCL2L1VCAM1PTGER4 | |
| SCHEMBL28431236 | 0.92 | MCL1 (1.00) | MCL1BCL2BCL2L1VCAM1PTGER4 | |
| SCHEMBL28421273 | 0.91 | MCL1 (0.85) | MCL1BCL2BCL2L1VCAM1PTGER4 | |
| SCHEMBL28430356 | 0.87 | MCL1 (0.65) | MCL1PTGER4 | |
| SCHEMBL28424695 | 0.85 | MCL1 (0.61) | MCL1BCL2PTGER4 | |
| SCHEMBL28434112 | 0.83 | MCL1 (0.84) | MCL1BCL2PTGER4CCR2 | |
| SCHEMBL28429759 | 0.80 | MCL1 (0.67) | MCL1PTGER4 | |
| SCHEMBL28429765 | 0.78 | MCL1 (0.65) | MCL1PTGER4HTT | |
| SCHEMBL28424343 | 0.77 | MCL1 (0.63) | MCL1PTGER4HTT | |
| SCHEMBL28424028 | 0.76 | 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 |