Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 7/20 | 0.54 |
| ▸ | RAB9A | P51151 | 7/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.54 |
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.47 |
| ▸ | RELA | Q04206 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | NR1H4 | Q96RI1 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2558121 | 0.82 | TAAR1 (0.55) | TSHRMEN1KMT2AALDH1A1MAPT | |
| SCHEMBL35210436 | 0.78 | ALDH5A1 (0.52) | NPC1RAB9ASMN1; SMN2TSHRNFKB1 | |
| SCHEMBL3456771 | 0.78 | NPC1 (0.66) | CASP3NPC1RAB9ASMN1; SMN2NFKB1 | |
| SCHEMBL3266359 | 0.75 | CASP3 (0.72) | CASP3NPC1RAB9ASMN1; SMN2TSHR | |
| SCHEMBL4741824 | 0.74 | NPC1 (0.67) | NPC1RAB9ASMN1; SMN2TSHRNFKB1 | |
| SCHEMBL27767785 | 0.74 | NPC1 (0.48) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL19287102 | 0.74 | TYR (0.56) | NPC1RAB9ASMN1; SMN2TSHRNFKB1 | |
| SCHEMBL4744783 | 0.74 | LMNA (0.65) | CASP3NPC1RAB9ATSHRTP53 | |
| SCHEMBL14090091 | 0.74 | PKM (0.59) | NPC1RAB9ASMN1; SMN2TSHRNFKB1 | |
| SCHEMBL13930818 | 0.73 | CASP3 (0.74) | CASP3NPC1RAB9ASMN1; SMN2TSHR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1549640-A4 | 1-((5-ARYL-1,2,4-OXADIAZOL-3-YL)BENZYL)AZETIDINE-3-CARBOXYLATES AND 1-((5-ARYL-1,2,4-OXADIAZOL-3-YL)BENZYL)PYRROLIDINE-3-CARBOXYLATES AS EDG RECEPTOR AGONISTS | MERCK & CO INC (US) | 2008-08-06 | — | — | EP | disclosed |
| US-7199142-B2 | 1-((5-aryl-1,2,4-oxadiazol-3-yl) benzyl)azetidine-3-carboxylates and 1-((5-aryl-1,2,4-oxadiazol-3-yl)benzyl) pyrrolidine-3-carboxylates as edg receptor agonists | MERCK & CO., INC. (US) | 2007-04-03 | — | — | US | disclosed |
| US-20050245575-A1 | 1-((5-aryl-1,2,4-oxadiazol-3-yl) benzyl)azetidine-3-carboxylates and 1-((5-aryl-1,2,4-oxadiazol-3-yl)benzyl) pyrrolidine-3-carboxylates as edg receptor agonists | MERCK & CO., INC. | 2005-11-03 | — | — | US | disclosed |
| EP-1549640-A2 | 1-((5-ARYL-1,2,4-OXADIAZOL-3-YL)BENZYL)AZETIDINE-3-CARBOXYLATES AND 1-((5-ARYL-1,2,4-OXADIAZOL-3-YL)BENZYL)PYRROLIDINE-3-CARBOXYLATES AS EDG RECEPTOR AGONISTS | Merck & Co., Inc. (US) | 2005-07-06 | — | — | EP | disclosed |
| WO-2003105771-A2 | 1-((5-ARYL-1,2,4-OXADIAZOL-3-YL)BENZYL)AZETIDINE-3-CARBOXYLATES AND 1-((5-ARYL-1,2,4-OXADIAZOL-3-YL)BENZYL)PYRROLIDINE-3-CARBOXYLATES AS EDG RECEPTOR AGONISTS | MERCK & CO., INC. (US) | 2003-12-24 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050245575-A1 | 1-((5-aryl-1,2,4-oxadiazol-3-yl) benzyl)azetidine-3-carboxylates and 1-((5-aryl-1,2,4-oxadiazol-3-yl)benzyl) pyrrolidine-3-carboxylates as edg receptor agonists | EDNRA, OXGR1, EDNRB | CASP3 2098/4885NPC1 1817/4885RAB9A 1517/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.