Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.39 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.39 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.39 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.39 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.39 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.39 |
| ▸ | CYP4F8 | P98187 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12551532 | 0.95 | ALDH1A1 (0.44) | ALDH1A1CYP1A1CYP1A2CYP2E1CYP3A4 | |
| SCHEMBL12551516 | 0.79 | FFAR4 (0.47) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL134209 | 0.75 | FFAR4 (0.43) | ALDH1A1CYP1A1CYP1A2CYP2E1CYP3A4 | |
| SCHEMBL16186449 | 0.73 | ALDH1A1 (0.61) | ALDH1A1CYP3A4SMN1; SMN2MEN1MAPT | |
| SCHEMBL12551518 | 0.72 | LTA4H (0.48) | MEN1KMT2ALTA4H | |
| SCHEMBL16176110 | 0.71 | DHODH (0.48) | ALDH1A1SMN1; SMN2FFAR4MEN1MAPT | |
| SCHEMBL14357526 | 0.71 | CALM1 (0.43) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL9486297 | 0.71 | ALDH1A1 (0.70) | ALDH1A1SMN1; SMN2MEN1MAPTKMT2A | |
| SCHEMBL28525218 | 0.71 | CALM1 (0.46) | IDH1LTA4H | |
| SCHEMBL12551612 | 0.71 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2B6 |
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-2010006680-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES | MERCK PATENT GMBH (DE) | 2010-01-21 | — | — | WO | disclosed |