Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | UCHL1 | P09936 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21818930 | 0.82 | ATM (0.42) | ALDH1A1NPC1UCHL1MEN1KMT2A | |
| SCHEMBL21834515 | 0.82 | ATM (0.42) | ALDH1A1NPC1UCHL1MEN1KMT2A | |
| SCHEMBL19078479 | 0.76 | ATM (0.41) | ALDH1A1MEN1KMT2AL3MBTL1HSD17B10 | |
| SCHEMBL4561006 | 0.73 | NPC1 (0.36) | LMNANPSR1NPC1UCHL1HSD17B10 | |
| SCHEMBL452693 | 0.70 | ADORA1 (0.38) | ALDH1A1HSD17B10ATMSMN1; SMN2 | |
| SCHEMBL26466455 | 0.70 | ALDH1A1 (0.35) | ALDH1A1MEN1KMT2AL3MBTL1HSD17B10 | |
| SCHEMBL1343753 | 0.69 | L3MBTL1 (0.44) | ALDH1A1LMNAKMT2AL3MBTL1TSHR | |
| SCHEMBL25765744 | 0.69 | ATM (0.38) | ALDH1A1NPC1UCHL1MEN1KMT2A | |
| SCHEMBL3576321 | 0.69 | HSD17B10 (0.49) | ALDH1A1NPC1MEN1KMT2AL3MBTL1 | |
| SCHEMBL6899788 | 0.69 | HSD17B10 (0.49) | ALDH1A1NPC1MEN1KMT2AL3MBTL1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1399160-A4 | NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES | MERCK & CO INC (US) | 2004-08-25 | — | — | EP | disclosed |
| EP-1399160-A2 | NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES | Merck & Co., Inc. (US) | 2004-03-24 | — | — | EP | disclosed |
| WO-2002100352-A2 | NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES | MERCK & CO., INC. (US) | 2002-12-19 | — | — | WO | disclosed |