Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | SLC1A5 | Q15758 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.31 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.30 |
| ▸ | GHSR | Q92847 | 2/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 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 | 0.77 | MTNR1A (0.33) | — | |
| SCHEMBL8771956 | 0.77 | GHSR (0.33) | NPC1RAB9ASMN1; SMN2POLBGHSR | |
| SCHEMBL8772017 | 0.77 | MMP2 (0.46) | — | |
| SCHEMBL8772008 | 0.76 | GPR119 (0.40) | — | |
| SCHEMBL8771998 | 0.75 | GAA (0.44) | SMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL8771782 | 0.75 | ADRB3 (0.31) | — | |
| SCHEMBL8772001 | 0.75 | TSHR (0.32) | TSHRCYP1A2CYP2C19CYP3A4 | |
| Hydrochloric Acid SCHEMBL3827873 | 0.72 | TSHR (0.37) | TSHRSLC1A5NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL8771852 | 0.71 | SMN1; SMN2 (0.42) | RAB9ASMN1; SMN2CYP1A2CYP2C19CYP3A4 | |
| SCHEMBL10423913 | 0.69 | AKT1 (0.42) | POLB |
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 |