Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LIPE | Q05469 | 8/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.39 |
| ▸ | AHR | P35869 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17699718 | 0.87 | MAPT (0.39) | LIPEALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL29782639 | 0.87 | MAPT (0.39) | LIPEALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL15502141 | 0.87 | LIPE (0.45) | LIPEALDH1A1SMN1; SMN2MAPK1KDM4E | |
| SCHEMBL26674648 | 0.85 | TSHR (0.58) | LIPEALDH1A1MAPK1HPGDKDM4E | |
| SCHEMBL1797092 | 0.84 | LIPE (0.49) | LIPEALDH1A1SMN1; SMN2MAPK1HPGD | |
| SCHEMBL29895467 | 0.84 | LIPE (0.49) | LIPEALDH1A1SMN1; SMN2MAPK1HPGD | |
| SCHEMBL1058987 | 0.83 | LIPE (0.48) | LIPEALDH1A1NPC1RAB9AHPGD | |
| SCHEMBL11894946 | 0.83 | GAA (0.49) | LIPEMAPK1GAA | |
| SCHEMBL29269315 | 0.79 | CETP (0.49) | LIPEALDH1A1RAB9AKDM4ELMNA | |
| SCHEMBL16100601 | 0.78 | LIPE (0.45) | LIPEMAPK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |