Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 4/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | XBP1 | P17861 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | NR5A2 | O00482 | 1/20 | 0.32 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL11598808 | 0.85 | ALDH1A1 (0.43) | CYP2C19CYP3A4CYP2C9CYP1A2TSHR | |
| SCHEMBL1724042 | 0.78 | THRB (0.49) | CYP2C19CYP3A4CYP2C9TSHRTHRB | |
| Acrylic Acid SCHEMBL9820498 | 0.72 | HSPA5 (0.50) | CYP2C19CYP3A4CYP2C9CYP1A2TSHR | |
| Acrylic Acid SCHEMBL9820535 | 0.72 | HSPA5 (0.50) | CYP2C19CYP3A4CYP2C9CYP1A2TSHR | |
| SCHEMBL11602422 | 0.71 | GAA (0.45) | CYP2C19CYP3A4CYP2C9CYP1A2TSHR | |
| SCHEMBL2671109 | 0.70 | HSPA5 (0.42) | CYP2C19CYP2C9HIF1AGAAALDH1A1 | |
| SCHEMBL9657298 | 0.70 | GAA (0.38) | CYP2C19ALOX5PTGS2THRBGAA | |
| SCHEMBL27968591 | 0.69 | CYP1A2 (0.45) | CYP2C19CYP3A4CYP2C9CYP1A2TSHR | |
| SCHEMBL8878210 | 0.69 | GAA (0.41) | CYP3A4CYP1A2TSHRALOX5PTGS2 | |
| SCHEMBL7649239 | 0.69 | GLRA3 (0.43) | CYP2C19CYP3A4CYP2C9CYP1A2TSHR |
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-4091225-A | ALKYLATION, REDUCTION, TRANSESTERIFICATION | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1978-05-23 | — | — | US | disclosed |