Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | TSPO | P30536 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.36 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3118590 | 0.76 | ESR2 (0.45) | ALDH1A1HTTMAPK1CYP11B1CYP11B2 | |
| SCHEMBL3127545 | 0.76 | MAPK1 (0.41) | ALDH1A1HTTMAPK1CYP11B1CYP11B2 | |
| SCHEMBL3241068 | 0.76 | CYP11B2 (0.41) | CYP11B2 | |
| SCHEMBL3246493 | 0.71 | FNTA (0.39) | SMN1; SMN2ALDH1A1HTTMAPK1GRIN1 | |
| SCHEMBL3247390 | 0.71 | GRIN2B (0.39) | ALDH1A1GRIN1GRIN2BCYP11B1CYP11B2 | |
| SCHEMBL3247392 | 0.71 | HSD17B3 (0.43) | GRIN1GRIN2BCYP11B1CYP11B2OPRK1 | |
| SCHEMBL3246489 | 0.71 | CYP11B2 (0.36) | SMN1; SMN2ALDH1A1GRIN2BCYP11B1CYP11B2 | |
| SCHEMBL3264528 | 0.69 | MAPK1 (0.44) | ALDH1A1HTTMAPK1GRIN1GRIN2B | |
| SCHEMBL13521598 | 0.69 | HSD17B3 (0.43) | ALDH1A1MAPK1GRIN2BCYP11B1CYP11B2 | |
| SCHEMBL3267887 | 0.69 | MAPK1 (0.45) | SMN1; SMN2ALDH1A1HTTMAPK1KDM4E |
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-2010008777-A2 | FUSED AZABICYCLIC PYRIDINES | LIGAND PHARMACEUTICALS INC. (US) | 2010-01-21 | — | — | WO | claimed |