Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | RAD52 | P43351 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | DHFR | P00374 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | PLA2G2A | P14555 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10226046 | 0.77 | KDM4E (0.44) | KDM4ECYP3A4CYP2C19HIF1AALDH1A1 | |
| SCHEMBL12638634 | 0.76 | ALDH1A1 (0.61) | KDM4ECYP3A4CYP2C19HIF1AALDH1A1 | |
| SCHEMBL21848526 | 0.73 | PDE10A (0.57) | KDM4EALDH1A1KMT2AHPGDPOLB | |
| SCHEMBL2540087 | 0.73 | KDM4E (0.78) | KDM4ECYP3A4CYP2C19HIF1AALDH1A1 | |
| SCHEMBL11130296 | 0.73 | BACE1 (0.56) | KDM4ECYP3A4CYP2C19HIF1AALDH1A1 | |
| SCHEMBL10174700 | 0.72 | ALDH1A1 (0.43) | KDM4ECYP3A4CYP2C19HIF1AALDH1A1 | |
| SCHEMBL28593993 | 0.69 | CYP1A2 (0.53) | KDM4ECYP3A4CYP2C19HIF1AALDH1A1 | |
| SCHEMBL6546215 | 0.69 | TAAR1 (0.56) | CYP1A2 | |
| SCHEMBL20851890 | 0.69 | ALDH1A1 (0.47) | KDM4EALDH1A1KMT2AHPGDRAD52 | |
| SCHEMBL19506247 | 0.66 | SMN1; SMN2 (0.49) | KDM4ECYP3A4CYP2C19HIF1AALDH1A1 |
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-2020063399-A1 | METHOD FOR LIGHT-INDUCED DECARBOXYLATION COUPLING OF ACTIVE CARBOXYLIC ACID ESTER UNDER NON-METAL CATALYSIS | 中国科学技术大学 | 2020-04-02 | — | — | WO | disclosed |