Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.45 |
| ▸ | IDO1 | P14902 | 5/20 | 0.44 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.40 |
| ▸ | HTR3B | O95264 | 1/20 | 0.40 |
| ▸ | HTR3A | P46098 | 1/20 | 0.40 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.40 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29114655 | 0.89 | SIGMAR1 (0.54) | SIGMAR1IDO1HTR3EHTR3BHTR3A | |
| Nitric Acid SCHEMBL11800644 | 0.82 | NR1D1 (0.37) | SIGMAR1LMNAALDH1A1 | |
| SCHEMBL3071669 | 0.82 | GRIN2D (0.54) | IDO1LMNAALDH1A1 | |
| Hydrochloric Acid SCHEMBL1937338 | 0.82 | ALDH1A1 (0.47) | SIGMAR1IDO1CYP2C9CYP2C19LMNA | |
| Hydrochloric Acid SCHEMBL1937395 | 0.82 | ALDH1A1 (0.47) | SIGMAR1IDO1CYP2C9CYP2C19LMNA | |
| Hydrochloric Acid SCHEMBL19371379 | 0.81 | GRIN2D (0.57) | IDO1LMNAALDH1A1 | |
| SCHEMBL10493836 | 0.78 | CNR2 (0.43) | SIGMAR1HRH4HRH3 | |
| SCHEMBL8731574 | 0.73 | BCL2A1 (0.39) | SIGMAR1IDO1ALDH1A1 | |
| SCHEMBL11236179 | 0.73 | LMNA (0.41) | IDO1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL13521679 | 0.72 | SMN1; SMN2 (0.39) | SIGMAR1LMNAALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0507317-B1 | Biguanide derivatives, manufacturing method thereof, and disinfectants containing the derivatives | OTSUKA PHARMA CO LTD (JP) | 1997-01-15 | — | — | EP | disclosed |