Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | RXRA | P19793 | 1/20 | 0.32 |
| ▸ | RXRB | P28702 | 1/20 | 0.32 |
| ▸ | RXRG | P48443 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5025767 | 0.83 | ESR1 (0.50) | ALDH1A1ESR1CYP3A4ESR2KDM4E | |
| SCHEMBL6527778 | 0.81 | ADRA2B (0.36) | ALDH1A1ATMTDP1TSHRCYP2C19 | |
| Ethylene Glycol SCHEMBL607522 | 0.79 | KDM4E (0.47) | ALDH1A1ESR1CYP3A4ESR2KDM4E | |
| SCHEMBL22092137 | 0.78 | ALDH1A1 (0.38) | ALDH1A1ESR1CYP3A4ESR2SMN1; SMN2 | |
| SCHEMBL11121840 | 0.76 | MAPK1 (0.43) | ALDH1A1CYP3A4KDM4ESMN1; SMN2GAA | |
| SCHEMBL10541515 | 0.74 | ALDH1A1 (0.47) | ALDH1A1ESR1CYP3A4ESR2KDM4E | |
| SCHEMBL10883978 | 0.74 | ATM (0.46) | ALDH1A1ESR1CYP3A4ESR2KDM4E | |
| SCHEMBL29012836 | 0.74 | ADRA2B (0.36) | ALDH1A1ATMTDP1TSHRCYP2C19 | |
| SCHEMBL9331418 | 0.74 | ALDH1A1 (0.43) | ALDH1A1ESR1CYP3A4ESR2KDM4E | |
| SCHEMBL30545314 | 0.74 | ALDH1A1 (0.43) | ALDH1A1ESR1CYP3A4ESR2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-2987480-B1 | Photocurable dental composites with increasing opacity | IVOCLAR VIVADENT AG (LI) | 2019-06-19 | — | — | EP | claimed |