Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 1/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.49 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | HTR1D | P28221 | 1/20 | 0.40 |
| ▸ | HTR1B | P28222 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.40 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6679352 | 0.99 | ADRA1A (0.48) | ADRA1ATAAR1HTR2ACYP1A2HTR1A | |
| SCHEMBL6674471 | 0.80 | ADRA1A (0.45) | ADRA1ATAAR1HTR2ACYP1A2HTR1A | |
| Hydrochloric Acid SCHEMBL6679823 | 0.79 | ADRA1A (0.44) | ADRA1ATAAR1HTR2ACYP1A2HTR1A | |
| SCHEMBL6676327 | 0.77 | TAAR1 (0.41) | TAAR1HTR2AMAPTALDH1A1 | |
| SCHEMBL13804183 | 0.77 | TAAR1 (0.60) | ADRA1ATAAR1HTR2ACYP1A2HTR1A | |
| SCHEMBL6679338 | 0.76 | TAAR1 (0.52) | TAAR1HTR2ACYP1A2MAPTTSHR | |
| SCHEMBL6676245 | 0.76 | PTGIR (0.49) | ADRA1ATAAR1HTR2ACYP1A2HTR1A | |
| Hydrochloric Acid SCHEMBL6674891 | 0.76 | TAAR1 (0.40) | TAAR1HTR2AMAPTALDH1A1 | |
| Hydrochloric Acid SCHEMBL6679353 | 0.75 | PTGIR (0.48) | ADRA1ATAAR1HTR2ACYP1A2HTR1A | |
| Hydrochloric Acid SCHEMBL6675033 | 0.75 | TAAR1 (0.54) | TAAR1HTR2ACYP1A2MAPTTSHR |
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-0798292-B1 | ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY | CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) | 2004-11-03 | — | — | EP | claimed |