Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CRHBP | P24387 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.38 |
| ▸ | ASPH | Q12797 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 5/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | MAP3K12 | Q12852 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | PGR | P06401 | 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 | |
|---|---|---|---|---|
| SCHEMBL24665770 | 0.86 | NOTUM (0.37) | CYP3A4CYP2D6TSHRCRHBPCYP2C19 | |
| SCHEMBL12828156 | 0.84 | CYP3A4 (0.36) | CYP3A4CYP2D6TSHRCRHBPCYP2C19 | |
| SCHEMBL25797123 | 0.84 | CYP3A4 (0.36) | CYP3A4CYP2D6TSHRCRHBPCYP2C19 | |
| SCHEMBL19366825 | 0.84 | CYP3A4 (0.36) | CYP3A4CYP2D6TSHRCRHBPCYP2C19 | |
| SCHEMBL18068089 | 0.84 | CYP3A4 (0.36) | CYP3A4CYP2D6TSHRCRHBPCYP2C19 | |
| SCHEMBL13939587 | 0.84 | CYP3A4 (0.36) | CYP3A4CYP2D6TSHRCRHBPCYP2C19 | |
| SCHEMBL13895319 | 0.82 | CYP3A4 (0.35) | CYP3A4CYP2D6TSHRCRHBPCYP2C19 | |
| SCHEMBL12299819 | 0.82 | AAK1 (0.35) | CYP3A4CYP2D6TSHRCRHBPCYP2C19 | |
| SCHEMBL19366817 | 0.81 | HTR2A (0.39) | CYP3A4CYP2D6TSHRCRHBPCYP2C19 | |
| SCHEMBL20642376 | 0.80 | AR (0.34) | CYP3A4CYP2D6TSHRCRHBPCYP2C19 |
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-9676780-B2 | Piperazine-substituted [1,2,4]triazolo[1,5-C]quinazolin-5-amine compounds with A2A antagonist properties | MERCK SHARP & DOHME CORP. (US) | 2017-06-13 | — | — | US | disclosed |