Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | PGK1 | P00558 | 1/20 | 0.33 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.32 |
| ▸ | SNCA | P37840 | 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 | |
|---|---|---|---|---|
| SCHEMBL1585046 | 0.84 | SNCA (0.35) | TRPV4SNCA | |
| SCHEMBL8385538 | 0.77 | VCAM1 (0.47) | MAPK1PGK1VCAM1 | |
| SCHEMBL522162 | 0.75 | TRPV4 (0.48) | TRPV4MAPK1PGK1VCAM1 | |
| SCHEMBL29827885 | 0.75 | TRPV4 (0.48) | TRPV4MAPK1PGK1VCAM1 | |
| SCHEMBL3311060 | 0.75 | AHR (0.35) | MAPK1 | |
| SCHEMBL29472350 | 0.75 | AHR (0.35) | MAPK1 | |
| SCHEMBL584071 | 0.75 | NOS2 (0.48) | VCAM1 | |
| SCHEMBL2451732 | 0.75 | CYP2A6 (0.41) | MAPK1VCAM1 | |
| SCHEMBL20041911 | 0.74 | TRPV4 (0.42) | TRPV4SNCA | |
| SCHEMBL6990236 | 0.72 | TSHR (0.35) | SNCA |
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-1178802-A4 | CYCLIC AMIDINES USEFUL AS NMDA NR2B ANTAGONISTS | MERCK & CO INC (US) | 2003-06-04 | — | — | EP | disclosed |
| US-6376530-B1 | A N-METHYLASPARTIC ACID ANTAGONIST; NERVOUS SYSTEM DISORDERS, ANALGESICS | MERCK & CO., INC. | 2002-04-23 | — | — | US | disclosed |
| EP-1178802-A1 | CYCLIC AMIDINES USEFUL AS NMDA NR2B ANTAGONISTS | Merck & Co., Inc. (US) | 2002-02-13 | — | — | EP | disclosed |
| WO-2000067755-A1 | CYCLIC AMIDINES USEFUL AS NMDA NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2000-11-16 | — | — | WO | disclosed |