Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | JUN | P05412 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.32 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL746393 | 0.82 | ALDH1A1 (0.40) | LMNAKMT2APIK3CDALDH1A1GAA | |
| SCHEMBL29708474 | 0.79 | — | — | |
| SCHEMBL38738 | 0.79 | — | — | |
| Isobutane SCHEMBL3485096 | 0.79 | LMNA (0.39) | LMNAKMT2APIK3CDALDH1A1GAA | |
| Trifluoroacetic Acid SCHEMBL4114425 | 0.78 | JUN (0.39) | LMNAKMT2APIK3CDALDH1A1GAA | |
| SCHEMBL5591663 | 0.66 | L3MBTL1 (0.47) | LMNAKMT2AALDH1A1GAAMAPT | |
| SCHEMBL17857141 | 0.66 | L3MBTL1 (0.47) | LMNAKMT2AALDH1A1MAPTRAB9A | |
| SCHEMBL14589044 | 0.64 | KMT2A (0.40) | LMNAKMT2AALDH1A1JUNNFKB1 | |
| SCHEMBL5643931 | 0.64 | KMT2A (0.40) | LMNAKMT2AJUNNFKB1NFKB2 | |
| SCHEMBL17849008 | 0.64 | ALDH1A1 (0.40) | LMNAKMT2AALDH1A1GAAMAPT |
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-2763969-A1 | ETHYNYL DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS | F.HOFFMANN-LA ROCHE AG (CH) | 2014-08-13 | — | — | EP | disclosed |
| WO-2013050460-A1 | ETHYNYL DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-04-11 | — | — | WO | disclosed |