Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MITF | O75030 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CRHBP | P24387 | 1/20 | 0.35 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | IRAK1 | P51617 | 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 | |
|---|---|---|---|---|
| SCHEMBL13378910 | 0.81 | ALDH1A1 (0.49) | ALDH1A1MAPTPOLBL3MBTL1MITF | |
| SCHEMBL259656 | 0.79 | ALDH1A1 (0.48) | ALDH1A1MAPTPOLBL3MBTL1MITF | |
| SCHEMBL261389 | 0.77 | ALDH1A1 (0.45) | ALDH1A1MAPTPOLBL3MBTL1MITF | |
| SCHEMBL14876638 | 0.74 | ALDH1A1 (0.67) | ALDH1A1MAPTPOLBL3MBTL1MITF | |
| SCHEMBL259703 | 0.74 | ALDH1A1 (0.50) | ALDH1A1MAPTPOLBL3MBTL1MITF | |
| SCHEMBL2035595 | 0.74 | ALDH1A1 (0.50) | ALDH1A1MAPTPOLBL3MBTL1MITF | |
| SCHEMBL260749 | 0.73 | HTR6 (0.46) | LMNASMN1; SMN2MEN1KMT2A | |
| SCHEMBL260828 | 0.70 | ALDH1A1 (0.42) | ALDH1A1MAPTPOLBL3MBTL1MITF | |
| SCHEMBL29612787 | 0.69 | ALDH1A1 (0.54) | ALDH1A1MAPTPOLBL3MBTL1MITF | |
| SCHEMBL3725949 | 0.69 | ALDH1A1 (0.54) | ALDH1A1MAPTPOLBL3MBTL1MITF |
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 5 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 |
| EP-1793827-B1 | TRICYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2010-04-07 | — | — | EP | disclosed |