Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.40 |
| ▸ | HTR3A | P46098 | 2/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | NCF1 | P14598 | 1/20 | 0.38 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.38 |
| ▸ | HTR3B | O95264 | 1/20 | 0.38 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.38 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 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 | |
|---|---|---|---|---|
| SCHEMBL20224106 | 0.84 | HTR3A (0.48) | ALDH1A1OPRL1HTR3AHTR1AADRB2 | |
| SCHEMBL8117742 | 0.84 | ADRB2 (0.41) | ALDH1A1HTR3AHTR1AADRB2NCF1 | |
| SCHEMBL8117745 | 0.81 | HTR3A (0.39) | HTR3AHTR1AADRB2NCF1HTR3E | |
| SCHEMBL30511066 | 0.79 | ADRB2 (0.56) | ALDH1A1HTR3AHTR1AADRB2NCF1 | |
| SCHEMBL1470389 | 0.79 | ADRB2 (0.56) | ALDH1A1HTR3AHTR1AADRB2NCF1 | |
| Hydrochloric Acid SCHEMBL31590331 | 0.78 | MAPT (0.56) | ALDH1A1HTR3AHTR1AADRB2NCF1 | |
| SCHEMBL29380294 | 0.76 | ALDH1A1 (0.57) | ALDH1A1OPRL1MAPTKDRLMNA | |
| SCHEMBL232086 | 0.76 | ALDH1A1 (0.57) | ALDH1A1OPRL1MAPTKDRLMNA | |
| SCHEMBL4573172 | 0.76 | ADRB1 (0.53) | ALDH1A1HTR3AADRB2NCF1HTR3E | |
| Hydrochloric Acid SCHEMBL22532864 | 0.75 | ALDH1A1 (0.56) | ALDH1A1OPRL1MAPTKDRHTR6 |
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-2009001127-A1 | CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS | ASTRAZENECA AB (SE) | 2008-12-31 | — | — | WO | disclosed |