Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.31 |
| ▸ | FEN1 | P39748 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2776439 | 0.74 | ALOX15 (0.38) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL4265557 | 0.70 | — | — | |
| SCHEMBL3454835 | 0.69 | — | — | |
| SCHEMBL27532148 | 0.68 | ALDH1A1 (0.38) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL4268381 | 0.68 | CYP2D6 (0.54) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL6697299 | 0.68 | F2RL1 (0.34) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| Hydrochloric Acid SCHEMBL28209887 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL28185499 | 0.67 | TAAR1 (0.39) | — | |
| SCHEMBL8216043 | 0.67 | KCNA3 (0.46) | ALDH1A1 | |
| SCHEMBL29745145 | 0.66 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2309860-A1 | MONOCYCLIC CYANOENONES AND METHODS OF USE THEREOF | Trustees of Dartmouth College (US) | 2011-04-20 | — | — | EP | disclosed |
| WO-2010011782-A1 | MONOCYCLIC CYANOENONES AND METHODS OF USE THEREOF | TRUSTEES OF DARTMOUTH COLLEGE (US) | 2010-01-28 | — | — | WO | disclosed |