Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | THPO | P40225 | 1/20 | 0.30 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.30 |
| ▸ | LCK | P06239 | 1/20 | 0.30 |
| ▸ | FYN | P06241 | 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 | |
|---|---|---|---|---|
| SCHEMBL10767023 | 0.71 | CYP1A2 (0.35) | ALDH1A1CYP1A2CYP2D6MAPTCYP2C9 | |
| SCHEMBL8073268 | 0.71 | CYP1A2 (0.35) | ALDH1A1CYP1A2CYP2D6MAPTCYP2C9 | |
| SCHEMBL10767020 | 0.71 | CYP1A2 (0.35) | ALDH1A1CYP1A2CYP2D6MAPTCYP2C9 | |
| Acetic Acid SCHEMBL29436907 | 0.69 | FFAR3 (0.44) | KDM4EALDH1A1HPGDCYP1A2CYP2D6 | |
| SCHEMBL13180583 | 0.69 | — | — | |
| SCHEMBL3627783 | 0.69 | — | — | |
| SCHEMBL618275 | 0.67 | — | — | |
| SCHEMBL13988881 | 0.67 | LDHA (0.44) | KDM4ETSHRTHPOFFAR3LCK | |
| SCHEMBL30529911 | 0.67 | FFAR3 (0.42) | ALDH1A1TSHRTHPOFFAR3LCK | |
| SCHEMBL17393261 | 0.67 | — | — |
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-2012076696-A1 | NEW METAL CARBONYL COMPLEXES OF CURCUMIN DERIVATIVES, THEIR SYNTHESIS AND THEIR USES IN THERAPEUTIC APPLICATION | UNIVERSITE PIERRE ET MARIE CURIE (PARIS 6) (FR) | 2012-06-14 | — | — | WO | disclosed |