Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABBR2 | O75899 | 2/20 | 0.50 |
| ▸ | GABBR1 | Q9UBS5 | 2/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.48 |
| ▸ | HTR2A | P28223 | 3/20 | 0.48 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1539105 | 0.79 | TAAR1 (0.65) | GABBR2GABBR1TAAR1HTR2ACHRNB2 | |
| SCHEMBL19812663 | 0.79 | GABBR2 (0.55) | GABBR2GABBR1TAAR1HTR2ACHRNB2 | |
| SCHEMBL27837727 | 0.79 | GABBR2 (0.50) | GABBR2GABBR1TAAR1HTR2ACHRNB2 | |
| SCHEMBL2979684 | 0.79 | MAOA (0.34) | GABBR2GABBR1TAAR1HTR2AHRH1 | |
| SCHEMBL27788151 | 0.79 | GABBR2 (0.50) | GABBR2GABBR1TAAR1HTR2ACHRNB2 | |
| SCHEMBL27579534 | 0.79 | TRPA1 (0.38) | GABBR2GABBR1TAAR1HTR2ACYP1A2 | |
| Hydrochloric Acid SCHEMBL10676327 | 0.77 | TAAR1 (0.62) | GABBR2GABBR1TAAR1HTR2ACHRNB2 | |
| SCHEMBL8975327 | 0.75 | HTR2A (0.46) | TAAR1HTR2ACHRNB2CHRNA4HRH1 | |
| SCHEMBL7524659 | 0.75 | GABBR2 (0.59) | GABBR2GABBR1CYP1A2CYP2D6PKM | |
| SCHEMBL28369665 | 0.75 | GABBR2 (0.34) | GABBR2GABBR1TAAR1HTR2AHRH1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007117286-A2 | METHODS FOR TREATING CEREBROVASCULAR DISEASE BY ADMINISTERING DESMETHYLSELEGILINE | SOMERSET PHARMACEUTICALS, INC. (US) | 2007-10-18 | — | — | WO | disclosed |