Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACLY | P53396 | 1/20 | 0.39 |
| ▸ | ERN1 | O75460 | 2/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.36 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | XDH | P47989 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL5190700 | 0.85 | ACLY (0.48) | ACLYERN1LRRK2SMN1; SMN2MAPT | |
| SCHEMBL8328118 | 0.77 | ALDH1A1 (0.42) | ACLYERN1S1PR1LRRK2SMN1; SMN2 | |
| SCHEMBL8322837 | 0.74 | ALDH1A1 (0.56) | ERN1MAPTMEN1ALDH1A1KMT2A | |
| SCHEMBL12896173 | 0.73 | NPC1 (0.50) | SMN1; SMN2MAPTNPC1NFKB1RAB9A | |
| SCHEMBL13846196 | 0.71 | MAPT (0.60) | ACLYLRRK2SMN1; SMN2MAPTMEN1 | |
| SCHEMBL6097515 | 0.71 | ERN1 (0.51) | ERN1MAPTMEN1ALDH1A1KMT2A | |
| SCHEMBL8329005 | 0.70 | ERN1 (0.39) | ERN1S1PR1MAPTMEN1ALDH1A1 | |
| SCHEMBL6264 | 0.70 | SMN1; SMN2 (0.43) | SMN1; SMN2NPC1NFKB1RAB9ANFKB2 | |
| SCHEMBL6098469 | 0.69 | ERN1 (0.45) | ACLYERN1MAPTMEN1ALDH1A1 | |
| SCHEMBL18004001 | 0.68 | XDH (0.43) | ERN1XDH |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0858444-A4 | CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 1999-12-01 | — | — | EP | disclosed |
| EP-0858444-A1 | CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 1998-08-19 | — | — | EP | disclosed |
| US-5750549-A | ANTIINFLAMMATORY AGENTS OR ANALGESICS | MERCK & CO., INC. (US) | 1998-05-12 | — | — | US | disclosed |
| WO-1997014671-A1 | CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1997-04-24 | — | — | WO | disclosed |