Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.38 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 4/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.35 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19434558 | 0.78 | CNR1 (0.40) | ALDH1A1BRD4KDM4EPRKACAPRKACG | |
| SCHEMBL31318913 | 0.78 | ALDH1A1 (0.35) | ALDH1A1ERCC1ERCC4CCR4 | |
| SCHEMBL24035855 | 0.77 | ALDH1A1 (0.36) | ALDH1A1PARP1LMNAHPGDMAPK1 | |
| SCHEMBL13787655 | 0.72 | ALDH1A1 (0.43) | ALDH1A1ERCC1ERCC4PARP1LMNA | |
| SCHEMBL31564540 | 0.71 | MAPT (0.36) | ALDH1A1PARP1CYP3A4CYP2C9RAB9A | |
| SCHEMBL23047007 | 0.71 | SMN1; SMN2 (0.51) | ALDH1A1LMNAHPGDMAPK1HTT | |
| SCHEMBL20551376 | 0.70 | ALDH1A1 (0.42) | ALDH1A1LMNAHPGDMAPK1HTT | |
| SCHEMBL19154269 | 0.70 | ALDH1A1 (0.39) | ALDH1A1ERCC1ERCC4PARP1LMNA | |
| SCHEMBL31564680 | 0.69 | PARP1 (0.38) | ALDH1A1PARP1LMNAHPGDKDM4E | |
| SCHEMBL6800237 | 0.69 | BRD4 (0.43) | ALDH1A1PARP1LMNAHPGDBRD4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4444305-A2 | PHARMACEUTICAL COMPOUND | Duke Street Bio Limited (GB) | 2024-10-16 | — | — | EP | disclosed |
| WO-2023156386-A2 | PHARMACEUTICAL COMPOUND | Duke Street Bio Limited (GB) | 2023-08-24 | — | — | WO | disclosed |
| WO-2023006013-A1 | NOVEL PARP7 INHIBITOR AND USE THEREOF | 上海齐鲁制药研究中心有限公司 | 2023-02-02 | — | — | WO | disclosed |