Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.30 |
| ▸ | CNR2 | P34972 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL260999 | 0.84 | ALDH1A1 (0.43) | ALDH1A1CNR2 | |
| SCHEMBL260932 | 0.84 | ALDH1A1 (0.43) | ALDH1A1CNR2 | |
| SCHEMBL260786 | 0.73 | STAT3 (0.46) | ALDH1A1MAPT | |
| SCHEMBL11132912 | 0.71 | MEN1 (0.39) | ALDH1A1 | |
| SCHEMBL7333487 | 0.64 | PTGS2 (0.40) | — | |
| SCHEMBL18029009 | 0.62 | MAPT (0.49) | ALDH1A1MAPTRECQL | |
| SCHEMBL3562734 | 0.60 | L3MBTL1 (0.45) | — | |
| SCHEMBL2031259 | 0.60 | MCL1 (0.41) | ALDH1A1MAPTRECQL | |
| SCHEMBL4718364 | 0.59 | GRIA1 (0.38) | — | |
| SCHEMBL25066353 | 0.59 | HTR2A (0.38) | ALDH1A1 |
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-1951051-B1 | SPIROHYDANTOIN TRICYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2012-10-03 | — | — | EP | disclosed |
| US-8163752-B2 | Tricyclic anilide heterocyclic CGRP receptor antagonists | Merck, Sharp & Dohme Corp. (US) | 2012-04-24 | — | — | US | disclosed |
| US-8133891-B2 | Tricyclic anilide spirolactam CGRP receptor antagonists | Merck, Sharp & Dohme Corp. (US) | 2012-03-13 | — | — | US | disclosed |
| US-7968540-B2 | Spirohydantoin tricyclic CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2011-06-28 | — | — | US | disclosed |
| US-7947677-B2 | Spirolactam tricyclic CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2011-05-24 | — | — | US | disclosed |