Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | JUN | P05412 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16701782 | 1.00 | TDP1 (0.41) | TDP1JUNNFKB1NFKB2RELA | |
| SCHEMBL29899133 | 0.89 | TDP1 (0.43) | TDP1JUNNFKB1NFKB2RELA | |
| SCHEMBL16701835 | 0.89 | TDP1 (0.43) | TDP1JUNNFKB1NFKB2RELA | |
| SCHEMBL29708780 | 0.82 | TDP1 (0.44) | TDP1JUNNFKB1NFKB2RELA | |
| SCHEMBL29417448 | 0.82 | TDP1 (0.44) | TDP1ALDH1A1PKM | |
| SCHEMBL1204974 | 0.82 | TDP1 (0.44) | TDP1JUNNFKB1NFKB2RELA | |
| SCHEMBL249075 | 0.82 | TDP1 (0.44) | TDP1ALDH1A1PKM | |
| SCHEMBL16454239 | 0.81 | RXRA (0.31) | — | |
| SCHEMBL25617401 | 0.79 | — | — | |
| SCHEMBL17816234 | 0.79 | GABRA2 (0.35) | — |
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-118541365-A | Antagonists of muscarinic acetylcholine receptor M4 | 范德堡大学 | 2024-08-23 | — | — | CN | disclosed |
| WO-2022216655-A1 | N-(6-((OCTAHYDROCYCLOPENTA[C]PYRROL-5-YI)AMINO)PYRIDAZIN-3-YL)PHENYL)CARBOXAMIDE AND (6- ((OCTAHYDROCYCLOPENTA[C]PYRROL-5-YL)AMINO)PYRIDAZIN-3-YL)BENZAMIDE DERIVATIVES AS MACHR M4 ANTAGONISTS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS | VANDERBILT UNIVERSITY (US) | 2022-10-13 | — | — | WO | disclosed |
| WO-2022212819-A1 | INDAZOLE DERIVATIVES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 | VANDERBILT UNIVERSITY (US) | 2022-10-06 | — | — | WO | disclosed |