Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 10/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.36 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 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 | |
|---|---|---|---|---|
| SCHEMBL3267887 | 0.92 | MAPK1 (0.45) | MAPK1ALDH1A1KDM4ELMNAHTT | |
| SCHEMBL3127545 | 0.90 | MAPK1 (0.41) | ESR1ESR2MAPK1ALDH1A1KDM4E | |
| SCHEMBL3118590 | 0.86 | ESR2 (0.45) | ESR1ESR2MAPK1ALDH1A1KDM4E | |
| SCHEMBL3246493 | 0.85 | FNTA (0.39) | MAPK1ALDH1A1KDM4ELMNAHTT | |
| SCHEMBL3264528 | 0.83 | MAPK1 (0.44) | ESR1ESR2MAPK1ALDH1A1KDM4E | |
| SCHEMBL13521598 | 0.82 | HSD17B3 (0.43) | ESR1ESR2MAPK1ALDH1A1KDM4E | |
| SCHEMBL3251252 | 0.82 | GAA (0.47) | ESR1ESR2MAPK1ALDH1A1KDM4E | |
| SCHEMBL3124617 | 0.79 | GRIN2B (0.42) | ESR1ESR2MAPK1 | |
| SCHEMBL3241068 | 0.79 | CYP11B2 (0.41) | CYP11B2 | |
| SCHEMBL3119024 | 0.79 | TAAR1 (0.46) | ESR1ESR2MAPK1ALDH1A1KDM4E |
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 |