Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 5/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | LTA4H | P09960 | 1/20 | 0.31 |
| ▸ | LTB4R | Q15722 | 2/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.30 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6907567 | 0.83 | CYP3A4 (0.39) | CYP3A4 | |
| SCHEMBL11106658 | 0.83 | CYP3A4 (0.36) | CYP2C19CYP3A4ALDH1A1CYP2C9TSHR | |
| SCHEMBL28043401 | 0.82 | CYP3A4 (0.36) | CYP2C19CYP3A4ALDH1A1SMN1; SMN2 | |
| SCHEMBL4812034 | 0.79 | SIRT2 (0.43) | CYP2C19CYP3A4 | |
| SCHEMBL6905227 | 0.79 | SIRT2 (0.43) | CYP2C19CYP3A4 | |
| SCHEMBL4805618 | 0.78 | CYP2C19 (0.40) | CYP2C19CYP3A4ALDH1A1CYP2C9TSHR | |
| SCHEMBL11106500 | 0.78 | CYP2C19 (0.37) | CYP2C19CYP3A4ALDH1A1TSHRMEN1 | |
| SCHEMBL4810386 | 0.78 | SIRT2 (0.40) | CYP2C19CYP3A4ALDH1A1CYP2C9TSHR | |
| SCHEMBL4804036 | 0.78 | CYP2C19 (0.39) | CYP2C19CYP3A4ALDH1A1CYP2C9TSHR | |
| SCHEMBL11855720 | 0.76 | PRKCA (0.39) | CYP2C19CYP3A4ALDH1A1TSHR |
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-4060540-A | BRONCHODILATORS, HYPOTENSIVE, ANTIULCER | AMERICAN CYANAMID COMPANY (US) | 1977-11-29 | — | — | US | disclosed |