Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 4/20 | 0.57 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.47 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.39 |
| ▸ | SRD5A1 | P18405 | 7/20 | 0.38 |
| ▸ | PNMT | P11086 | 1/20 | 0.38 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL24861251 | 0.82 | KDM1A (0.54) | KDM1ASIGMAR1KDM4CHTR2AHTR2C | |
| SCHEMBL12878860 | 0.78 | KDM1A (0.57) | KDM1ASIGMAR1HTR2AHTR2CHTR2B | |
| SCHEMBL17542386 | 0.77 | KDM1A (0.53) | KDM1ASIGMAR1KDM4CHTR2AHTR2C | |
| SCHEMBL17550264 | 0.75 | KDM1A (0.54) | KDM1ASIGMAR1KDM4CHTR2AHTR2C | |
| SCHEMBL17542426 | 0.75 | KDM1A (0.54) | KDM1ASIGMAR1KDM4CHTR2AHTR2C | |
| SCHEMBL29436469 | 0.75 | KDM1A (0.54) | KDM1ASIGMAR1KDM4CHTR2AHTR2C | |
| SCHEMBL17550266 | 0.75 | KDM1A (0.54) | KDM1ASIGMAR1KDM4CHTR2AHTR2C | |
| SCHEMBL24538629 | 0.75 | KDM1A (0.54) | KDM1ASIGMAR1HTR2AHTR2CHTR2B | |
| SCHEMBL28607711 | 0.74 | KDM1A (0.45) | KDM1ASIGMAR1HTR2AHTR2CHTR2B | |
| SCHEMBL21124762 | 0.74 | KDM1A (0.52) | KDM1ASIGMAR1KDM4CHTR2AHTR2C |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118251398-A | Macrocyclic 2-amino-but-3-enamides as MCL-1 inhibitors | 詹森药业有限公司 | 2024-06-25 | — | — | CN | disclosed |
| CN-116670141-A | Macrocyclic branched 3-fluoro-but-3-enamides as MCL-1 inhibitors | 詹森药业有限公司 | 2023-08-29 | — | — | CN | disclosed |
| CN-110691784-B | Compounds for inhibiting MCL-1 protein | 美国安进公司 | 2023-03-31 | — | — | CN | disclosed |
| CN-115698023-A | Macrocyclic 2-amino-3-fluoro-but-3-enamides as MCL-1 inhibitors | 詹森药业有限公司 | 2023-02-03 | — | — | CN | disclosed |
| CN-114096546-A | Macrocyclic spirocyclic derivatives useful as MCL-1 inhibitors | 詹森药业有限公司 | 2022-02-25 | — | — | CN | disclosed |
| CN-110691784-A | Compounds that inhibit MCL-1 protein | 美国安进公司 | 2020-01-14 | — | — | CN | disclosed |