Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.65 |
| ▸ | PTGER4 | P35408 | 4/20 | 0.46 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | MMP1 | P03956 | 1/20 | 0.45 |
| ▸ | MMP2 | P08253 | 1/20 | 0.45 |
| ▸ | MMP9 | P14780 | 1/20 | 0.45 |
| ▸ | MMP8 | P22894 | 1/20 | 0.45 |
| ▸ | MMP13 | P45452 | 1/20 | 0.45 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MITF | O75030 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | FLT1 | P17948 | 2/20 | 0.43 |
| ▸ | FLT4 | P35916 | 2/20 | 0.43 |
| ▸ | KDR | P35968 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28429759 | 0.92 | MCL1 (0.67) | MCL1PTGER4KMT2ACNR1FLT1 | |
| SCHEMBL28430356 | 0.91 | MCL1 (0.65) | MCL1PTGER4KMT2AMMP1MMP2 | |
| SCHEMBL28424028 | 0.88 | MCL1 (0.61) | MCL1PTGER4CNR1MAPTFLT1 | |
| SCHEMBL28434112 | 0.88 | MCL1 (0.84) | MCL1PTGER4FLT1FLT4KDR | |
| SCHEMBL28421273 | 0.87 | MCL1 (0.85) | MCL1PTGER4CNR1LMNAMAPT | |
| SCHEMBL24273075 | 0.83 | MCL1 (0.61) | MCL1PTGER4CNR1FLT1FLT4 | |
| SCHEMBL24273177 | 0.83 | MCL1 (0.53) | MCL1PTGER4KMT2ACNR1MAPT | |
| SCHEMBL28424343 | 0.80 | MCL1 (0.63) | MCL1PTGER4KMT2ALMNAHTT | |
| SCHEMBL28428367 | 0.79 | MCL1 (0.88) | MCL1PTGER4SMN1; SMN2NPSR1 | |
| SCHEMBL28431236 | 0.79 | MCL1 (1.00) | MCL1PTGER4 |
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 |