Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | HRH2 | P25021 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
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 SCHEMBL8478515 | 0.99 | TAAR1 (0.42) | TAAR1AOC3SLC6A2SLC6A4LMNA | |
| SCHEMBL8791290 | 0.84 | TAAR1 (0.43) | TAAR1AOC3SLC6A2SLC6A4LMNA | |
| Hydrochloric Acid SCHEMBL8482432 | 0.83 | TAAR1 (0.42) | TAAR1AOC3SLC6A2SLC6A4LMNA | |
| Hydrochloric Acid SCHEMBL8484477 | 0.81 | PNMT (0.52) | SLC6A2SLC6A4KDM4EGRIN2BCES2 | |
| SCHEMBL19742792 | 0.80 | TAAR1 (0.49) | TAAR1AOC3SLC6A2SLC6A4HTR2A | |
| SCHEMBL25301045 | 0.77 | AOC3 (0.50) | TAAR1AOC3SLC6A2SLC6A4HTR2A | |
| Hydrochloric Acid SCHEMBL8477484 | 0.76 | AOC3 (0.54) | AOC3SLC6A2SLC6A4CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL8478514 | 0.74 | AOC3 (0.43) | AOC3SLC6A2SLC6A4GRIN2BCES2 | |
| SCHEMBL22785928 | 0.74 | CA1 (0.47) | GRIN2B | |
| Hydrochloric Acid SCHEMBL8481661 | 0.73 | KDM4E (0.44) | TAAR1SLC6A2SLC6A4LMNACYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| JP-3197422-A | — | — | None | — | — | JP | disclosed |
| JP-H03197422-A | MEDICINE CONTAINING 1,2-ETHANEDIOL DERIVATIVE OR ITS SALT FOR IMPROVEMENT OF CEREBRAL FUNCTION | TOYAMA CHEM CO LTD | 1991-08-28 | — | — | JP | disclosed |