Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | GPR3 | P46089 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | NPY1R | P25929 | 1/20 | 0.32 |
| ▸ | NPY2R | P49146 | 1/20 | 0.32 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23839161 | 0.87 | GPR3 (0.34) | ALDH1A1GPR3POLBCYP1A2CYP2C19 | |
| SCHEMBL24899628 | 0.74 | GPR3 (0.34) | ALDH1A1GPR3POLBCYP1A2CYP2C19 | |
| SCHEMBL13954491 | 0.73 | GPR3 (0.39) | ALDH1A1GPR3POLBCYP1A2CYP2C19 | |
| SCHEMBL13822085 | 0.72 | UTS2R (0.36) | ALDH1A1UTS2RKDM4EHPGDPGR | |
| SCHEMBL18445707 | 0.71 | GPR3 (0.38) | ALDH1A1GPR3POLBCYP1A2CYP2C19 | |
| SCHEMBL15468256 | 0.70 | GPR3 (0.36) | ALDH1A1GPR3POLBCYP1A2CYP2C19 | |
| SCHEMBL15871260 | 0.70 | MAOA (0.46) | POLBTSHRUTS2RACHEMAPT | |
| SCHEMBL15161531 | 0.70 | IDO1 (0.37) | UTS2RACHE | |
| SCHEMBL20362953 | 0.69 | GPR3 (0.39) | ALDH1A1GPR3POLBCYP1A2CYP2C19 | |
| SCHEMBL18951654 | 0.68 | GPR3 (0.38) | ALDH1A1GPR3POLBCYP1A2CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3848352-A1 | BENZONITRILE DERIVATIVE, LIGHT-EMITTING MATERIAL, AND LIGHT-EMITTING ELEMENT USING SAME | Kyushu University, National University Corporation (JP) | 2021-07-14 | — | — | EP | disclosed |
| WO-2020250851-A1 | ISOPHTHALONITRILE COMPOUNDS, LUMINESCENT MATERIAL, AND LUMINESCENT ELEMENT INCLUDING SAME | 国立大学法人九州大学 | 2020-12-17 | — | — | WO | disclosed |