Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | FEN1 | P39748 | 1/20 | 0.35 |
| ▸ | PTPRC | P08575 | 2/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
| ▸ | PTPN13 | Q12923 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MGAM | O43451 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | TDP2 | O95551 | 1/20 | 0.34 |
| ▸ | NSD2 | O96028 | 1/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4021374 | 0.83 | KDM4E (0.57) | ALDH1A1KMT2AMEN1GAAKDM4E | |
| SCHEMBL170101 | 0.81 | ALOX15 (0.43) | ALDH1A1HTTHSD17B10L3MBTL1KMT2A | |
| Ammonia Solution, Strong SCHEMBL28924316 | 0.79 | ALOX15 (0.41) | ALDH1A1HTTHSD17B10KMT2AMEN1 | |
| SCHEMBL21692150 | 0.75 | PTGS1 (0.58) | PTGS1PTGS2NTRK1ALDH1A1HTT | |
| Piperazine SCHEMBL28290172 | 0.73 | HTR7 (0.42) | ALDH1A1HSD17B10KMT2AMEN1GAA | |
| SCHEMBL37278 | 0.73 | PTGS2 (0.66) | PTGS1PTGS2NTRK1ALDH1A1HTT | |
| SCHEMBL12854120 | 0.73 | PTPRC (0.57) | PTGS1PTGS2NTRK1ALDH1A1HTT | |
| SCHEMBL14663825 | 0.73 | PTGS1 (0.43) | PTGS1PTGS2NTRK1ALDH1A1HTT | |
| Ammonia Solution, Strong SCHEMBL20599554 | 0.72 | PTGS2 (0.64) | PTGS1PTGS2NTRK1ALDH1A1HTT | |
| SCHEMBL29227428 | 0.72 | PTGS2 (0.64) | PTGS1PTGS2NTRK1ALDH1A1HTT |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1613617-A4 | DI-ARYL SUBSTITUTED TRIAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | MERCK & CO INC (US) | 2009-02-18 | — | — | EP | disclosed |
| EP-1613617-A2 | DI-ARYL SUBSTITUTED TRIAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | Merck & Co., Inc. (US) | 2006-01-11 | — | — | EP | disclosed |
| EP-1458708-A4 | HETEROARYL SUBSTITUTED TRIAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | MERCK & CO INC (US) | 2005-11-16 | — | — | EP | disclosed |
| WO-2004089306-A2 | DI-ARYL SUBSTITUTED TRIAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | MERCK & CO., INC. (US) | 2004-10-21 | — | — | WO | disclosed |
| EP-1458708-A2 | HETEROARYL SUBSTITUTED TRIAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | Merck & Co., Inc. (US) | 2004-09-22 | — | — | EP | disclosed |
| WO-2003051315-A2 | HETEROARYL SUBSTITUTED TRIAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | MERCK & CO., INC. (US) | 2003-06-26 | — | — | WO | disclosed |