Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 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 | |
|---|---|---|---|---|
| SCHEMBL25729665 | 0.89 | CYP19A1 (0.33) | CYP19A1 | |
| SCHEMBL21538542 | 0.88 | ACHE (0.35) | CYP19A1 | |
| SCHEMBL17735477 | 0.81 | CYP19A1 (0.35) | CYP19A1DPP4 | |
| SCHEMBL24253220 | 0.79 | CYP19A1 (0.39) | CYP19A1 | |
| SCHEMBL21742469 | 0.76 | ACHE (0.34) | — | |
| SCHEMBL2935859 | 0.75 | ACHE (0.37) | CYP19A1 | |
| SCHEMBL19084106 | 0.70 | LMNA (0.35) | TSHR | |
| SCHEMBL20644610 | 0.69 | ACHE (0.30) | — | |
| SCHEMBL23652063 | 0.69 | LMNA (0.31) | TSHR | |
| SCHEMBL19445248 | 0.69 | CYP19A1 (0.41) | CYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1230184-A | Arylamino fused pyridines and pyrimidines | DU PONT MERCK PHARMA (US) | 1999-09-29 | — | — | CN | disclosed |