Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 6/20 | 0.51 |
| ▸ | CYP1B1 | Q16678 | 6/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.51 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | CYP4B1 | P13584 | 2/20 | 0.51 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.51 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.51 |
| ▸ | CYP2A7 | P20853 | 2/20 | 0.51 |
| ▸ | CYP3A7 | P24462 | 2/20 | 0.51 |
| ▸ | CYP2F1 | P24903 | 2/20 | 0.51 |
| ▸ | CYP2C18 | P33260 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | CYP2J2 | P51589 | 2/20 | 0.51 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.51 |
| ▸ | CYP4F8 | P98187 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL24478431 | 0.88 | CA12 (0.47) | CYP1A1CYP1B1CYP1A2CYP3A4CYP2E1 | |
| SCHEMBL17642170 | 0.85 | CYP1A1 (0.46) | CYP1A1CYP1B1CYP1A2CYP3A4CYP2E1 | |
| SCHEMBL196689 | 0.82 | CYP1A1 (0.69) | CYP1A1CYP1B1CYP1A2CYP3A4CYP2E1 | |
| SCHEMBL29589241 | 0.82 | CYP1A1 (0.69) | CYP1A1CYP1B1CYP1A2CYP3A4CYP2E1 | |
| SCHEMBL17641863 | 0.78 | CYP1A1 (0.45) | CYP1A1CYP1B1CYP1A2CYP3A4CYP2E1 | |
| SCHEMBL711834 | 0.76 | GSTP1 (0.57) | CYP1A2CYP3A4CYP2D6CYP2A6CYP2C9 | |
| SCHEMBL29569275 | 0.76 | CYP1A1 (0.46) | CYP1A1CYP1B1CYP1A2CYP3A4CYP2E1 | |
| SCHEMBL712732 | 0.76 | PTGS2 (0.49) | CYP1A2CYP2D6CYP2C9CYP2C19CA12 | |
| SCHEMBL18326857 | 0.75 | CYP1A1 (0.38) | CYP1A1CYP1B1CYP1A2CYP3A4CYP2E1 | |
| SCHEMBL23000124 | 0.75 | HSD17B1 (0.45) | CYP1A1CYP1B1CYP1A2CYP3A4CYP2E1 |
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-2022112932-A1 | NON-AQUEOUS REDOX FLOW BATTERIES | ENI S.P.A. (IT) | 2022-06-02 | — | — | WO | disclosed |