Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 12/20 | 0.46 |
| ▸ | HTR2A | P28223 | 7/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 3/20 | 0.39 |
| ▸ | TNFSF11 | O14788 | 3/20 | 0.38 |
| ▸ | PLK1 | P53350 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13378914 | 0.78 | HTR6 (0.51) | HTR6HTR2ALMNAHTR2CTNFSF11 | |
| SCHEMBL27711940 | 0.77 | HTR6 (0.44) | HTR6HTR2ALMNASMN1; SMN2HTR2C | |
| SCHEMBL3259520 | 0.75 | HTR6 (0.48) | HTR6HTR2ALMNASMN1; SMN2HTR2C | |
| SCHEMBL260231 | 0.75 | HTR6 (0.48) | HTR6HTR2ALMNASMN1; SMN2HTR2C | |
| SCHEMBL261410 | 0.75 | HTR6 (0.44) | HTR6HTR2ALMNASMN1; SMN2HTR2C | |
| SCHEMBL260605 | 0.74 | HTR6 (0.56) | HTR6HTR2ALMNASMN1; SMN2MEN1 | |
| SCHEMBL18690960 | 0.74 | HTR6 (0.59) | HTR6HTR2AHTR2C | |
| SCHEMBL260627 | 0.73 | ALDH1A1 (0.45) | LMNASMN1; SMN2MEN1KMT2A | |
| SCHEMBL8805012 | 0.73 | CYP1A2 (0.58) | ADAMTS4 | |
| SCHEMBL26378166 | 0.73 | HTR6 (0.60) | HTR6HTR2ALMNASMN1; SMN2HTR2C |
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 |