Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.42 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | PTGES | O14684 | 1/20 | 0.41 |
| ▸ | AMY1A | P0DUB6 | 2/20 | 0.39 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.38 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MERTK | Q12866 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | RAF1 | P04049 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8774927 | 0.84 | ALDH1A1 (0.44) | HSP90AA1HSP90AB1ALDH1A1MAPTKDM4E | |
| SCHEMBL7359567 | 0.79 | NPC1 (0.39) | ALDH1A1PTGESNPC1RAB9ATSHR | |
| SCHEMBL7357357 | 0.78 | PTGES (0.38) | HSP90AA1HSP90AB1ALDH1A1MAPTKDM4E | |
| SCHEMBL8774775 | 0.73 | IDH2 (0.44) | ALDH1A1MAPTKDM4EAMY1ADCTPP1 | |
| SCHEMBL8845427 | 0.71 | IDH2 (0.41) | ALDH1A1MAPTKDM4EPTGESAMY1A | |
| SCHEMBL23004696 | 0.71 | KMT2A (0.39) | HSP90AA1ALDH1A1MAPTKDM4EAMY1A | |
| SCHEMBL2446355 | 0.67 | TSHR (0.47) | HSP90AA1ALDH1A1MAPTDCTPP1TSHR | |
| SCHEMBL9320625 | 0.67 | KMT2A (0.46) | HSP90AA1HSP90AB1ALDH1A1MAPTKDM4E | |
| SCHEMBL11126330 | 0.67 | ALDH1A1 (0.59) | ALDH1A1MAPTKDM4ES1PR4DCTPP1 | |
| SCHEMBL15973812 | 0.67 | HSP90AA1 (0.43) | HSP90AA1HSP90AB1ALDH1A1KDM4EPTGES |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5367077-A | Certain cycloalkyl and azacycloalkyl pyrrolopyridines; a new class of gaba rain receptor ligands | NEUROGEN CORPORATION (US) | 1994-11-22 | — | — | US | disclosed |
| WO-1994025461-A1 | CERTAIN CYCLOALKYL AND AZACYCLOALKYL PYRROLOPYRIDINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 1994-11-10 | — | — | WO | disclosed |