Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.49 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.47 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.47 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL6544563 | 0.88 | TSHR (0.53) | CYP2D6CHRM2CHRM3ALDH1A1MAPK1 | |
| SCHEMBL8710585 | 0.83 | SMYD3 (0.54) | ALDH1A1SMN1; SMN2HTTRAB9AFKBP1A | |
| SCHEMBL4631263 | 0.81 | CYP2D6 (0.56) | CYP2D6CHRM2CHRM3ALDH1A1MAPK1 | |
| Hydrochloric Acid SCHEMBL20212096 | 0.79 | POLB (0.56) | CYP2D6CHRM2CHRM3ALDH1A1MAPK1 | |
| SCHEMBL4630748 | 0.78 | CYP2D6 (0.61) | CYP2D6CHRM2CHRM3ALDH1A1MAPK1 | |
| SCHEMBL2701136 | 0.77 | AKR1C3 (0.52) | ALDH1A1SMN1; SMN2HTTAKR1C3FKBP1A | |
| SCHEMBL8708223 | 0.77 | NPFFR1 (0.60) | ALDH1A1SMN1; SMN2HTTNPC1RAB9A | |
| SCHEMBL8708218 | 0.77 | ALDH1A1 (0.48) | CYP2D6CHRM2CHRM3ALDH1A1MAPK1 | |
| Hydrochloric Acid SCHEMBL6543346 | 0.77 | CYP2D6 (0.59) | CYP2D6CHRM2CHRM3ALDH1A1MAPK1 | |
| SCHEMBL4629950 | 0.77 | L3MBTL1 (0.53) | CYP2D6CHRM2CHRM3ALDH1A1MAPK1 |
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-1998018762-A1 | NEW DERIVATIVES OF DIVERSELY SUBSTITUTED CYCLICAL AMIDE SELECTIVE ANTAGONISTS OF THE HUMAN RECEPTOR NK3, PROCESS FOR OBTAINING THEM, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SANOFI (FR) | 1998-05-07 | — | — | WO | disclosed |