Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 7/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.42 |
| ▸ | NOS3 | P29474 | 5/20 | 0.42 |
| ▸ | NOS2 | P35228 | 5/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | APEX1 | P27695 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HRH2 | P25021 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7566153 | 0.91 | — | — | |
| SCHEMBL2789898 | 0.72 | NOS3 (0.34) | NOS1CYP1A2NOS3NOS2CYP2C19 | |
| SCHEMBL6671781 | 0.68 | CYP2C19 (0.43) | NOS1CYP1A2NOS3NOS2CYP2C19 | |
| SCHEMBL11588205 | 0.67 | — | — | |
| SCHEMBL17234300 | 0.67 | CYP2C19 (0.46) | NOS1CYP1A2NOS3NOS2CYP2C19 | |
| SCHEMBL14073918 | 0.66 | — | — | |
| SCHEMBL24270258 | 0.65 | — | — | |
| SCHEMBL1858800 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL11589104 | 0.65 | NOS3 (0.39) | NOS1CYP1A2NOS3NOS2CYP2C19 | |
| SCHEMBL302673 | 0.64 | — | — |
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-1315505-B1 | PHARMACEUTICAL COMPOSITIONS FOR HEADACHE, MIGRAINE, NAUSEA AND EMESIS | MEDITOR PHARMACEUTICALS LTD (IL) | 2007-10-17 | — | — | EP | claimed |