Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL11784620 | 0.87 | TSHR (0.31) | TSHR | |
| SCHEMBL29652096 | 0.85 | ALDH1A1 (0.33) | PTGS1 | |
| SCHEMBL11188600 | 0.84 | TSHR (0.34) | TSHR | |
| SCHEMBL9693959 | 0.79 | ALDH1A1 (0.33) | — | |
| SCHEMBL31711467 | 0.78 | NR3C1 (0.32) | LMNAHIF1A | |
| SCHEMBL11159606 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL11219012 | 0.74 | TSHR (0.31) | LMNATSHR | |
| SCHEMBL14458137 | 0.72 | ALDH1A1 (0.33) | LMNATSHRHIF1A | |
| SCHEMBL6557553 | 0.72 | ALDH1A1 (0.33) | LMNATSHRHIF1A | |
| SCHEMBL5606210 | 0.72 | ALDH1A1 (0.33) | LMNATSHRHIF1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022129167-A1 | BICYCLIC AROMA CHEMICALS | BASF SE (DE) | 2022-06-23 | — | — | WO | disclosed |
| US-3954804-A | Production of high molecular weight unsaturated ketones | BASF AKTIENGESELLSCHAFT (DT) | 1976-05-04 | — | — | US | disclosed |
| US-3932462-A | Manufacture of unsaturated ketones | BASF AKTIENGESELLSCHAFT (DT) | 1976-01-13 | — | — | US | disclosed |