Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | THPO | P40225 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.36 |
| ▸ | MBTD1 | Q05BQ5 | 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 | |
|---|---|---|---|---|
| SCHEMBL8912806 | 0.76 | KCNJ1 (0.60) | SIGMAR1HRH3KCNJ1KCNH2 | |
| Hydrochloric Acid SCHEMBL8920931 | 0.73 | KCNH2 (0.44) | ALDH1A1SMN1; SMN2KCNH2LMNA | |
| SCHEMBL12281936 | 0.73 | SIGMAR1 (0.55) | SIGMAR1ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL15651638 | 0.71 | SIGMAR1 (0.53) | SIGMAR1ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL16670770 | 0.71 | SIGMAR1 (0.49) | SIGMAR1ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5651768 | 0.70 | SIGMAR1 (0.64) | SIGMAR1ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL1877934 | 0.70 | HRH3 (0.68) | SIGMAR1ALDH1A1CYP1A2CYP3A4TDP1 | |
| SCHEMBL8565829 | 0.70 | SIGMAR1 (0.51) | SIGMAR1ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL28356053 | 0.70 | SIGMAR1 (0.58) | SIGMAR1ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL2234644 | 0.70 | SIGMAR1 (0.63) | SIGMAR1ALDH1A1CYP1A2CYP3A4CYP2D6 |
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-5633247-A | ANTIARRTHYMIA AGENT | MERCK & CO., INC. (US) | 1997-05-27 | — | — | US | disclosed |