Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABAT | P80404 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL26805245 | 0.74 | ABAT (0.36) | ABATAKR1C3AKR1C1LMNATSHR | |
| SCHEMBL26805791 | 0.70 | ABAT (0.33) | ABAT | |
| SCHEMBL24293988 | 0.68 | ABAT (0.32) | ABATLMNATSHR | |
| SCHEMBL24294215 | 0.67 | APLNR (0.32) | ABATLMNATSHR | |
| SCHEMBL963370 | 0.63 | GABRR1 (0.35) | — | |
| SCHEMBL24294266 | 0.63 | GABRP (0.32) | ABAT | |
| SCHEMBL13383605 | 0.60 | TSHR (0.61) | ABATAKR1C3AKR1C1LMNATSHR | |
| SCHEMBL19807527 | 0.60 | SLC6A3 (0.33) | AKR1C3AKR1C1TSHR | |
| SCHEMBL16421301 | 0.60 | ABAT (0.37) | ABATAKR1C3AKR1C1LMNATSHR | |
| SCHEMBL12836372 | 0.60 | TSHR (0.40) | ABATAKR1C3AKR1C1LMNATSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022061271-A1 | ISOMERIZATION OF CYCLOHEXENEDICARBOXYLIC ACID AND ITS DERIVATIVES | IOWA STATE UNIVERSITY RESEARCHFOUNDATION, INC. (US) | 2022-03-24 | — | — | WO | disclosed |