Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.39 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.39 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3621915 | 0.80 | PARP1 (0.43) | CA1CA2ALDH1A1 | |
| SCHEMBL3621910 | 0.80 | PARP1 (0.43) | CA1CA2ALDH1A1 | |
| SCHEMBL15052282 | 0.77 | ALDH1A1 (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL14784833 | 0.76 | TSHR (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL11813693 | 0.74 | L3MBTL1 (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL11813691 | 0.74 | L3MBTL1 (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL12200901 | 0.74 | DHPS (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL10783189 | 0.73 | CA12 (0.59) | ALOX5CA12CA1CA2CA7 | |
| SCHEMBL14276451 | 0.73 | CA12 (0.43) | ALOX5CA12CA1CA2CA7 | |
| SCHEMBL16268938 | 0.73 | CA12 (0.44) | ALOX5CA12CA1CA2CA7 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8143266-B2 | Aryl heterocyclic CGRP receptor antagonists | Merck, Sharp & Dohme Corp (US) | 2012-03-27 | — | — | US | disclosed |
| US-7989624-B2 | Aryl spirolactam CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2011-08-02 | — | — | US | disclosed |