Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 6/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | METAP2 | P50579 | 3/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10386956 | 0.74 | CYP19A1 (0.31) | CYP19A1 | |
| SCHEMBL27509989 | 0.73 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL12654914 | 0.73 | TLR4 (0.33) | ALDH1A1METAP2MAPT | |
| SCHEMBL10385584 | 0.70 | PRKCA (0.41) | CYP19A1ALDH1A1 | |
| SCHEMBL8717534 | 0.69 | CYP19A1 (0.36) | CYP19A1ALDH1A1MAPT | |
| SCHEMBL10385896 | 0.66 | — | — | |
| SCHEMBL14879881 | 0.66 | ALDH1A1 (0.32) | THRBALDH1A1 | |
| SCHEMBL5380269 | 0.66 | ALDH1A1 (0.35) | ALDH1A1MAPT | |
| SCHEMBL10387032 | 0.64 | CYP19A1 (0.33) | CYP19A1ALDH1A1 | |
| SCHEMBL11531776 | 0.64 | CYP3A4 (0.47) | ALDH1A1MAPT |
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-4970345-A | REARRANGEMENT, HYDROGENATION, DEHYDRATION | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1990-11-13 | — | — | US | disclosed |