Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 16/20 | 0.64 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | THPO | P40225 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | GMNN | O75496 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 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 | |
|---|---|---|---|---|
| SCHEMBL1637420 | 1.00 | TACR1 (0.64) | TACR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL1532499 | 1.00 | TACR1 (0.64) | TACR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9035327 | 1.00 | TACR1 (0.64) | TACR1TP53CYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL28339135 | 0.99 | TACR1 (0.63) | TACR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9052518 | 0.96 | TACR1 (0.59) | TACR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9052513 | 0.96 | TACR1 (0.59) | TACR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9037266 | 0.95 | TACR1 (0.59) | TACR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9053585 | 0.93 | TACR1 (0.56) | TACR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9035174 | 0.91 | TACR1 (0.54) | TACR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9034870 | 0.90 | TACR1 (0.58) | TACR1TP53CYP1A2CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-6229010-B1 | RECOVERING FORM I OF 2-(R)-(1-(R)-(3,5-BIS(TRIFLUOROMETHYL) -PHENYL)ETHOXY)-3-(S)-(4-FLUORO)PHENYL-4-(3-(5-OXO-1H,4H-1,2,4 -TRIAZOLO)METHYLMORPHOLINE FROM FORM II EQUILIBRATED IN ETHANOL, ISOPROPANOL, ACETONITRILE OR ISOPROPYL ACETATE | MERCK & CO., INC. | 2001-05-08 | — | — | US | disclosed |
| US-6048859-A | ANTIEMETIC AGENT | MERCK & CO., INC. (US) | 2000-04-11 | — | — | US | disclosed |