Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FBP1 | P09467 | 6/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.39 |
| ▸ | DNA2 | P51530 | 1/20 | 0.38 |
| ▸ | CASP6 | P55212 | 1/20 | 0.38 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | B3GNT2 | Q9NY97 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL261054 | 1.00 | FBP1 (0.41) | FBP1APEX1ADORA3DNA2CASP6 | |
| SCHEMBL640651 | 0.75 | POLB (0.59) | B3GNT2ALDH1A1 | |
| SCHEMBL261099 | 0.71 | APEX1 (0.47) | FBP1APEX1ADORA3DNA2CASP6 | |
| SCHEMBL7333009 | 0.70 | ELANE (0.44) | MAPTL3MBTL1ALDH1A1GAATSHR | |
| SCHEMBL261338 | 0.70 | ALDH1A1 (0.44) | FBP1APEX1ADORA3DNA2CASP6 | |
| SCHEMBL1818450 | 0.69 | FBP1 (0.41) | FBP1APEX1MAPTL3MBTL1PGR | |
| SCHEMBL1820444 | 0.69 | FBP1 (0.41) | FBP1APEX1MAPTL3MBTL1PGR | |
| SCHEMBL640633 | 0.66 | B3GNT2 (0.54) | B3GNT2PGR | |
| SCHEMBL7332717 | 0.66 | MAPT (0.33) | MAPTL3MBTL1ALDH1A1LMNAGAA | |
| SCHEMBL260932 | 0.65 | ALDH1A1 (0.43) | L3MBTL1ALDH1A1TSHRTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| 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-7947677-B2 | Spirolactam tricyclic CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2011-05-24 | — | — | US | disclosed |