Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C4 | P17516 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL11416457 | 1.00 | AKR1C4 (0.33) | AKR1C4AKR1C3AKR1C2ALDH1A1TSHR | |
| SCHEMBL13236696 | 1.00 | AKR1C4 (0.33) | AKR1C4AKR1C3AKR1C2ALDH1A1TSHR | |
| SCHEMBL10938565 | 0.83 | PSEN1 (0.33) | — | |
| SCHEMBL10936451 | 0.82 | FFAR1 (0.31) | ALDH1A1 | |
| SCHEMBL6902657 | 0.80 | — | — | |
| SCHEMBL13170733 | 0.80 | — | — | |
| SCHEMBL6901472 | 0.72 | — | — | |
| SCHEMBL10938571 | 0.72 | — | — | |
| SCHEMBL19667650 | 0.70 | PDCD4 (0.42) | AKR1C4AKR1C3AKR1C2 | |
| SCHEMBL9618184 | 0.70 | PDCD4 (0.42) | AKR1C4AKR1C3AKR1C2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4237308-A | BY DECARBOXYLATION IN THE PRESENCE OF SODIUM CHLORIDE | OTSUKA KAGAKU YAKUHIN KABUSHIKI KAISHA (JP) | 1980-12-02 | — | — | US | claimed |
| JP-54032443-A | — | — | None | — | — | JP | disclosed |
| US-7759399-B2 | Pharmaceutical compositions | CRAWFORD HEALTHCARE HOLDINGS LIMITED (GB) | 2010-07-20 | — | — | US | disclosed |
| US-4540825-A | REARRANGEMENT OF 4-CYCLOPENTENONES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1985-09-10 | — | — | US | disclosed |
| US-4237308-A | BY DECARBOXYLATION IN THE PRESENCE OF SODIUM CHLORIDE | OTSUKA KAGAKU YAKUHIN KABUSHIKI KAISHA (JP) | 1980-12-02 | — | — | US | disclosed |
| JP-S5432443-A | 5-(CIS-2-PENTENYL)-2-CYCLOPENTENONE DERIVATIVE AND ITS PREPARATION | OTSUKA CHEM CO LTD | 1979-03-09 | — | — | JP | disclosed |