Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 17/20 | 0.56 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.48 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.48 |
| ▸ | HTR1A | P08908 | 3/20 | 0.48 |
| ▸ | DRD2 | P14416 | 2/20 | 0.48 |
| ▸ | HTR1D | P28221 | 2/20 | 0.48 |
| ▸ | HTR1B | P28222 | 2/20 | 0.48 |
| ▸ | HTR1F | P30939 | 2/20 | 0.48 |
| ▸ | HTR7 | P34969 | 2/20 | 0.48 |
| ▸ | DRD3 | P35462 | 2/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL3622437 | 0.81 | HTR6 (0.63) | HTR6HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL4783302 | 0.80 | HTR6 (0.62) | HTR6HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL13120192 | 0.78 | HTR6 (0.59) | HTR6HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL3622212 | 0.78 | HTR6 (0.59) | HTR6HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL3612612 | 0.78 | HTR6 (0.59) | HTR6HDAC3HDAC4HDAC1HDAC7 | |
| Trifluoroacetic Acid SCHEMBL3627298 | 0.78 | HTR6 (0.53) | HTR6HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL27642787 | 0.77 | HTR6 (0.58) | HTR6HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL3624867 | 0.76 | HTR6 (0.64) | HTR6HTR1ADRD2HTR1DHTR1B | |
| SCHEMBL3615114 | 0.76 | HTR6 (0.57) | HTR6HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL7187902 | 0.76 | HTR6 (0.61) | HTR6HDAC3HDAC4HDAC1HDAC7 |
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 |