Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.49 |
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.48 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.47 |
| ▸ | GALR3 | O60755 | 1/20 | 0.46 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.46 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2584587 | 0.82 | ROCK2 (0.48) | TSHRROCK2P2RX7TP53 | |
| SCHEMBL2587088 | 0.80 | GSK3B (0.46) | ROCK2P2RX7 | |
| SCHEMBL2585532 | 0.76 | HIF1A (0.52) | TSHRROCK2LMNAMAPK1TP53 | |
| SCHEMBL2582407 | 0.76 | P2RX7 (0.54) | ROCK2P2RX7TP53 | |
| SCHEMBL2582356 | 0.72 | KMT2A (0.46) | LMNAMAPT | |
| SCHEMBL2589092 | 0.72 | HIF1A (0.43) | ROCK2 | |
| SCHEMBL2576273 | 0.71 | ALDH1A1 (0.48) | TSHRMAPK1MAPTTP53 | |
| SCHEMBL2585927 | 0.71 | WNT1 (0.46) | MAPK1 | |
| SCHEMBL2585707 | 0.70 | RAB9A (0.54) | EPHX2MAPK1TAAR1 | |
| SCHEMBL2589522 | 0.68 | EPHX2 (0.56) | TSHRROCK2EPHX2NLRP1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-8048879-B2 | Substituted 4,5,6,7-tetrahydro-isoxazolo[4,5-c]pyridine compounds and use thereof for producing medicaments | GRUENENTHAL GMBH (DE) | 2011-11-01 | — | — | US | disclosed |