Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 5/20 | 0.57 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.54 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.54 |
| ▸ | HTR7 | P34969 | 2/20 | 0.49 |
| ▸ | HTR1A | P08908 | 1/20 | 0.49 |
| ▸ | HTR3E | A5X5Y0 | 4/20 | 0.49 |
| ▸ | HTR3B | O95264 | 4/20 | 0.49 |
| ▸ | HTR3A | P46098 | 4/20 | 0.49 |
| ▸ | HTR3D | Q70Z44 | 4/20 | 0.49 |
| ▸ | HTR3C | Q8WXA8 | 4/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | HTR6 | P50406 | 1/20 | 0.46 |
| ▸ | ACVR1B | P36896 | 2/20 | 0.46 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.46 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL19706020 | 0.84 | ADRB1 (0.54) | ADRB1CHRNB2CHRNA4HTR7HTR1A | |
| SCHEMBL28848369 | 0.83 | ADRB1 (0.53) | ADRB1CHRNB2CHRNA4HTR7HTR1A | |
| SCHEMBL335755 | 0.81 | ADRB1 (0.62) | ADRB1CHRNB2CHRNA4HTR7HTR1A | |
| SCHEMBL7507944 | 0.81 | ADRB1 (0.62) | ADRB1CHRNB2CHRNA4HTR7HTR1A | |
| SCHEMBL10208374 | 0.80 | ADRB1 (0.67) | ADRB1CHRNB2CHRNA4HTR7HTR1A | |
| SCHEMBL27403145 | 0.80 | ADRB1 (0.67) | ADRB1CHRNB2CHRNA4HTR7HTR1A | |
| SCHEMBL19709394 | 0.79 | ADRB1 (0.61) | ADRB1CHRNB2CHRNA4HTR7HTR1A | |
| Hydrochloric Acid SCHEMBL8931722 | 0.79 | ADRB1 (0.61) | ADRB1CHRNB2CHRNA4HTR7HTR1A | |
| SCHEMBL19709420 | 0.79 | ADRB1 (0.61) | ADRB1CHRNB2CHRNA4HTR7HTR1A | |
| Bromide SCHEMBL10572729 | 0.79 | ADRB1 (0.61) | ADRB1CHRNB2CHRNA4HTR7HTR1A |
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-3939968-A1 | NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME | Medicinal Bioconvergence Research Center (KR) | 2022-01-19 | — | — | EP | disclosed |