Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.65 |
| ▸ | ADORA2B | P29275 | 7/20 | 0.63 |
| ▸ | RXFP1 | Q9HBX9 | 5/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.63 |
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | MAPT | P10636 | 1/20 | 0.61 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | CASP1 | P29466 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL20030199 | 0.86 | ALDH1A1 (0.60) | ALDH1A1ADORA2BRXFP1SMN1; SMN2TSHR | |
| Benzene SCHEMBL27777114 | 0.82 | ADORA2B (0.64) | ALDH1A1ADORA2BRXFP1SMN1; SMN2TSHR | |
| SCHEMBL10500751 | 0.81 | ALDH1A1 (0.71) | ALDH1A1ADORA2BRXFP1SMN1; SMN2TSHR | |
| Methane SCHEMBL28334630 | 0.81 | MAPK1 (0.67) | ALDH1A1ADORA2BRXFP1SMN1; SMN2TSHR | |
| SCHEMBL22085188 | 0.81 | RXFP1 (0.61) | ALDH1A1ADORA2BRXFP1SMN1; SMN2LMNA | |
| Toluene SCHEMBL28070325 | 0.80 | ALDH1A1 (0.61) | ALDH1A1ADORA2BRXFP1SMN1; SMN2TSHR | |
| SCHEMBL16120984 | 0.79 | ADORA2B (0.81) | ALDH1A1ADORA2BRXFP1SMN1; SMN2TSHR | |
| SCHEMBL17786242 | 0.79 | ALDH1A1 (1.00) | ALDH1A1ADORA2BRXFP1SMN1; SMN2TSHR | |
| SCHEMBL4533692 | 0.78 | RXFP1 (0.78) | ALDH1A1RXFP1SMN1; SMN2MAPTGAA | |
| SCHEMBL10501627 | 0.78 | TSHR (0.74) | ALDH1A1ADORA2BRXFP1SMN1; SMN2TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1863514-A | Abuse-proffed dosage form | GRUENENTHAL GMBH (DE) | 2006-11-15 | — | — | CN | disclosed |
| CN-1863513-A | Abuse-proffed dosage form | GRUENENTHAL GMBH (DE) | 2006-11-15 | — | — | CN | disclosed |
| CN-1179418-A | Novel cyloalkyl derivatives as inhibitors of bone resorption and vitronectin receptor antagonists | HOECHST AG (DE) | 1998-04-22 | — | — | CN | disclosed |