Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 5/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | DGAT2 | Q96PD7 | 3/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2582407 | 0.82 | P2RX7 (0.54) | ROCK2P2RX7CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL2581145 | 0.82 | TSHR (0.50) | ROCK2P2RX7TP53TSHR | |
| SCHEMBL2585532 | 0.79 | HIF1A (0.52) | ROCK2GAACYP1A2CYP2C19HIF1A | |
| SCHEMBL2587088 | 0.76 | GSK3B (0.46) | ROCK2P2RX7DGAT2HIF1AMEN1 | |
| SCHEMBL2582356 | 0.72 | KMT2A (0.46) | GAAHIF1ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL2585707 | 0.72 | RAB9A (0.54) | GAACYP1A2CYP2C19HIF1ASMN1; SMN2 | |
| SCHEMBL2589092 | 0.72 | HIF1A (0.43) | ROCK2HIF1A | |
| SCHEMBL2576273 | 0.71 | ALDH1A1 (0.48) | GAAHIF1ATP53TSHRSMN1; SMN2 | |
| SCHEMBL2585927 | 0.71 | WNT1 (0.46) | CYP1A2HIF1ASMN1; SMN2 | |
| SCHEMBL2589522 | 0.70 | EPHX2 (0.56) | ROCK2HIF1ATSHRSMN1; SMN2MEN1 |
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 |