Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | NOS3 | P29474 | 2/20 | 0.43 |
| ▸ | NOS1 | P29475 | 2/20 | 0.43 |
| ▸ | NOS2 | P35228 | 2/20 | 0.43 |
| ▸ | BLM | P54132 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | PLAAT3 | P53816 | 1/20 | 0.41 |
| ▸ | PLAAT5 | Q96KN8 | 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 | |
|---|---|---|---|---|
| SCHEMBL1346362 | 0.77 | PTPN1 (0.51) | ALDH1A1LMNANOS3NOS1NOS2 | |
| SCHEMBL23918813 | 0.72 | IAPP (0.53) | TAAR1HRH3FFAR1PDPK1MAOB | |
| SCHEMBL266389 | 0.72 | ALDH1A1 (0.57) | TAAR1ALDH1A1HRH3FFAR1PDPK1 | |
| SCHEMBL106691 | 0.72 | FFAR1 (0.54) | TAAR1HRH3FFAR1PDPK1MAOB | |
| SCHEMBL7332151 | 0.71 | FFAR1 (0.57) | TAAR1HRH3FFAR1PDPK1MAOB | |
| SCHEMBL117230 | 0.70 | FFAR1 (0.73) | TAAR1FFAR1PDPK1PLAAT3PLAAT5 | |
| SCHEMBL11801516 | 0.70 | FFAR1 (0.55) | TAAR1HRH3FFAR1PDPK1MAOB | |
| SCHEMBL5646521 | 0.69 | CYP4F2 (0.66) | ALDH1A1NPSR1HRH3FFAR1PDPK1 | |
| SCHEMBL1696674 | 0.68 | TAAR1 (0.61) | TAAR1MAOBIDO1HDAC1HDAC8 | |
| SCHEMBL2316007 | 0.68 | TAAR1 (0.57) | TAAR1HRH3FFAR1PDPK1MAOB |
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 |
|---|---|---|---|---|---|---|---|
| EP-1863818-A1 | ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2007-12-12 | — | — | EP | disclosed |
| WO-2006099972-A1 | ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-09-28 | — | — | WO | disclosed |