Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.30 |
| ▸ | SCN4A | P35499 | 2/20 | 0.30 |
| ▸ | AHR | P35869 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | AAK1 | Q2M2I8 | 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 | |
|---|---|---|---|---|
| SCHEMBL8772011 | 0.81 | MTNR1A (0.33) | HPGDAAK1 | |
| SCHEMBL8771852 | 0.78 | SMN1; SMN2 (0.42) | KDM4EALDH1A1GAACYP3A4CYP1A2 | |
| SCHEMBL8771956 | 0.76 | GHSR (0.33) | KDM4EGAAHPGDNPSR1 | |
| SCHEMBL8772017 | 0.76 | MMP2 (0.46) | ALDH1A1HPGD | |
| SCHEMBL8771907 | 0.75 | TSHR (0.37) | TSHRCYP3A4CYP1A2CYP2C19 | |
| SCHEMBL8772008 | 0.75 | GPR119 (0.40) | — | |
| SCHEMBL8771998 | 0.74 | GAA (0.44) | ALDH1A1GAACYP3A4CYP1A2 | |
| SCHEMBL8771782 | 0.74 | ADRB3 (0.31) | AAK1 | |
| SCHEMBL8772004 | 0.67 | MMP2 (0.45) | ALDH1A1HPGD | |
| SCHEMBL8771761 | 0.67 | MMP2 (0.44) | ALDH1A1HPGD |
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-0648740-B1 | AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS | KUMIAI CHEMICAL INDUSTRY CO (JP) | 1997-10-08 | — | — | EP | disclosed |