Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 2/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL8910299 | 0.88 | CYP17A1 (0.33) | CYP17A1CYP19A1 | |
| SCHEMBL7098420 | 0.78 | HTR2C (0.45) | — | |
| SCHEMBL7300006 | 0.70 | HIF1A (0.41) | SMN1; SMN2 | |
| SCHEMBL8911274 | 0.70 | CA12 (0.37) | SMN1; SMN2 | |
| SCHEMBL8910432 | 0.69 | NQO2 (0.33) | — | |
| SCHEMBL8910990 | 0.66 | — | — | |
| SCHEMBL8910440 | 0.66 | — | — | |
| SCHEMBL10428642 | 0.64 | HTR2C (0.47) | — | |
| SCHEMBL31065699 | 0.63 | STS (0.38) | — | |
| SCHEMBL8122010 | 0.62 | HTR2C (0.33) | 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 |
|---|---|---|---|---|---|---|---|
| US-5608065-A | ADAMANTANEOSPIRO-HETEROAROMATIC PYRANS | OPTISCHE WERKE G. RODENSTOCK (DE) | 1997-03-04 | — | — | US | claimed |