Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 7/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.34 |
| ▸ | TSHR | P16473 | 4/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL19216374 | 0.75 | — | — | |
| SCHEMBL19513022 | 0.74 | MAPT (0.59) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL11287500 | 0.72 | CYP3A4 (0.39) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL26958759 | 0.72 | CYP1A2 (0.39) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL19216313 | 0.71 | CCNB2 (0.31) | — | |
| SCHEMBL16091003 | 0.70 | KDM4E (0.42) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL18708861 | 0.67 | CYP1A2 (0.31) | CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL13225322 | 0.67 | — | — | |
| SCHEMBL29607566 | 0.66 | CRHR1 (0.39) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL27953451 | 0.65 | — | — |
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-3150609-A1 | PROCESS FOR PREPARING CERTAIN CHEMICAL ENTITIES | Intellikine, LLC (US) | 2017-04-05 | — | — | EP | disclosed |