Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.43 |
| ▸ | NPFFR1 | Q9GZQ6 | 5/20 | 0.43 |
| ▸ | NPFFR2 | Q9Y5X5 | 5/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8708223 | 0.85 | NPFFR1 (0.60) | HTTOPRM1NPFFR1NPFFR2OPRK1 | |
| SCHEMBL8710585 | 0.77 | SMYD3 (0.54) | HTTCYP2C9CYP2C19FKBP1AMEN1 | |
| SCHEMBL8393626 | 0.74 | USP2 (0.64) | HTTCYP2C9CYP2C19FKBP1AMEN1 | |
| SCHEMBL6643951 | 0.73 | SLC6A2 (0.42) | NPFFR1NPFFR2CYP2D6OPRK1 | |
| SCHEMBL10253586 | 0.72 | HPGD (0.48) | HTTNPFFR1NPFFR2OPRK1MEN1 | |
| SCHEMBL4631300 | 0.72 | ALDH1A1 (0.58) | HTTCYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL28218804 | 0.72 | MEN1 (0.74) | CYP2C9CYP2C19FKBP1AMEN1KMT2A | |
| SCHEMBL10254764 | 0.71 | P2RX7 (0.50) | MEN1KMT2ASMN1; SMN2ALDH1A1GAA | |
| SCHEMBL7498000 | 0.70 | TSHR (0.49) | CYP2C9CYP2C19OPRM1CYP2D6MEN1 | |
| SCHEMBL17117357 | 0.70 | NAMPT (0.66) | HTTCYP2C9CYP2C19FKBP1AMEN1 |
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 |