Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DNA2 | P51530 | 1/20 | 0.56 |
| ▸ | CASP6 | P55212 | 1/20 | 0.56 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.56 |
| ▸ | FBP1 | P09467 | 6/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CLK1 | P49759 | 2/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.42 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1819570 | 0.78 | BACE1 (0.44) | DNA2CASP6CTDSP1MAPTL3MBTL1 | |
| SCHEMBL1277854 | 0.77 | DNA2 (0.83) | DNA2CASP6CTDSP1FBP1MAPT | |
| SCHEMBL27476171 | 0.76 | DNA2 (0.45) | DNA2CASP6CTDSP1FBP1MAPT | |
| SCHEMBL30024944 | 0.75 | ALDH1A1 (0.57) | MAPTL3MBTL1NPC1DYRK1AGSK3B | |
| SCHEMBL2431833 | 0.75 | CYP1A2 (0.63) | MAPTL3MBTL1TDP1ALDH1A1CYP1A2 | |
| SCHEMBL2431836 | 0.75 | CYP1A2 (0.63) | MAPTL3MBTL1TDP1ALDH1A1CYP1A2 | |
| SCHEMBL18498545 | 0.74 | DNA2 (0.36) | DNA2CASP6CTDSP1FBP1MAPT | |
| SCHEMBL3066032 | 0.74 | DNA2 (0.66) | DNA2CASP6CTDSP1FBP1MAPT | |
| SCHEMBL10717343 | 0.74 | TSHR (0.50) | FBP1MAPTL3MBTL1TDP1APEX1 | |
| SCHEMBL12397741 | 0.73 | DNA2 (0.46) | DNA2CASP6CTDSP1FBP1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| 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 |