Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.62 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.62 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.58 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 7/20 | 0.45 |
| ▸ | HTT | P42858 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | MITF | O75030 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | MMP2 | P08253 | 1/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.40 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.40 |
| ▸ | ESPL1 | Q14674 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1476705 | 1.00 | ALDH1A1 (0.62) | ALDH1A1HIF1AVCAM1ATMTDP1 | |
| SCHEMBL18397203 | 0.83 | TDP1 (0.64) | ALDH1A1HIF1AVCAM1ATMTDP1 | |
| SCHEMBL31241209 | 0.83 | TDP1 (0.64) | ALDH1A1HIF1AVCAM1ATMTDP1 | |
| SCHEMBL6840900 | 0.80 | TSHR (0.56) | ALDH1A1HIF1AATMTDP1LMNA | |
| SCHEMBL14371934 | 0.78 | MAPT (0.43) | ALDH1A1HIF1AATMTDP1MAPT | |
| SCHEMBL1665978 | 0.78 | PARP1 (0.56) | ALDH1A1ATMTDP1LMNAHTT | |
| SCHEMBL29462663 | 0.78 | ATM (0.69) | ALDH1A1HIF1AVCAM1ATMTDP1 | |
| SCHEMBL11579276 | 0.78 | ALDH1A1 (0.67) | ALDH1A1HIF1AVCAM1ATMTDP1 | |
| SCHEMBL102780 | 0.78 | ATM (0.69) | ALDH1A1HIF1AVCAM1ATMTDP1 | |
| SCHEMBL35276 | 0.77 | ALDH1A1 (1.00) | ALDH1A1HIF1AVCAM1ATMTDP1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4433484-A1 | MACROCYCLIC 2-AMINO-BUT-3-ENAMIDES AS INHIBITORS OF MCL-1 | JANSSEN Pharmaceutica NV (BE) | 2024-09-25 | — | — | EP | disclosed |
| EP-4263558-A1 | MACROCYCLIC BRANCHED 3-FLUORO-BUT-3-ENAMIDES AS INHIBITORS OF MCL-1 | JANSSEN Pharmaceutica NV (BE) | 2023-10-25 | — | — | EP | disclosed |
| WO-2023088894-A1 | MACROCYCLIC 2-AMINO-BUT-3-ENAMIDES AS INHIBITORS OF MCL-1 | JANSSEN PHARMACEUTICA NV (BE) | 2023-05-25 | — | — | WO | disclosed |
| EP-4165050-A1 | MACROCYCLIC 2-AMINO-3-FLUORO-BUT-3-ENAMIDES AS INHIBITORS OF MCL-1 | JANSSEN Pharmaceutica NV (BE) | 2023-04-19 | — | — | EP | disclosed |
| WO-2022261352-A1 | PERFLUOROALKANE SUBSTITUTED PYRAZOLO[3,4-D]PYRIMIDIN AND PYRROLO[2,3-D]PYRIMIDIN COMPOUNDS AND USES THEREOF | ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) | 2022-12-15 | — | — | WO | disclosed |
| WO-2022237813-A1 | COMPOUND HAVING ALK INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR AND USE THEREOF | 盛世泰科生物医药技术(苏州)有限公司 | 2022-11-17 | — | — | WO | disclosed |
| WO-2022129331-A1 | MACROCYCLIC BRANCHED 3-FLUORO-BUT-3-ENAMIDES AS INHIBITORS OF MCL-1 | JANSSEN PHARMACEUTICA NV (BE) | 2022-06-23 | — | — | WO | disclosed |
| EP-3997097-A1 | MACROCYCLIC SPIROCYCLE DERIVATIVES AS MCL-1 INHIBITORS | Janssen Pharmaceutica NV (BE) | 2022-05-18 | — | — | EP | disclosed |