Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD81 | P60033 | 2/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.30 |
| ▸ | TBXAS1 | P24557 | 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 | |
|---|---|---|---|---|
| SCHEMBL28832685 | 0.93 | CD81 (0.41) | CD81PPARGBACE1PTGS1AKR1C3 | |
| SCHEMBL45793 | 0.93 | — | — | |
| SCHEMBL16092 | 0.93 | — | — | |
| Ethylene Glycol SCHEMBL28863335 | 0.91 | CD81 (0.40) | CD81PPARGBACE1PTGS1AKR1C3 | |
| Phosphine SCHEMBL28166002 | 0.91 | CD81 (0.40) | CD81PPARGBACE1PTGS1AKR1C3 | |
| SCHEMBL28531941 | 0.91 | CD81 (0.40) | CD81PPARGBACE1PTGS1AKR1C3 | |
| Acetone SCHEMBL8337338 | 0.91 | CD81 (0.40) | CD81PPARGBACE1PTGS1AKR1C3 | |
| Benzene SCHEMBL28203817 | 0.88 | AKR1C3 (0.40) | CD81PPARGBACE1PTGS1AKR1C3 | |
| SCHEMBL759160 | 0.86 | CD81 (0.38) | CD81PPARGBACE1PTGS1AKR1C3 | |
| SCHEMBL15637858 | 0.86 | CD81 (0.38) | CD81PPARGBACE1PTGS1AKR1C3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080200434-A1 | Chemical Target-Binding Compositions | THERABIT, INC. | 2008-08-21 | — | — | US | disclosed |
| WO-2007033353-A2 | CHEMICAL TARGET-BINDING COMPOSITIONS | THERABIT, INC. (US) | 2007-03-22 | — | — | WO | disclosed |