Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | CREBBP | Q92793 | 7/20 | 0.33 |
| ▸ | BRD4 | O60885 | 4/20 | 0.33 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.33 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.33 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.33 |
| ▸ | ITGAV | P06756 | 1/20 | 0.33 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.33 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.33 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.33 |
| ▸ | ITGAL | P20701 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.33 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1821562 | 0.79 | BRD4 (0.39) | ALDH1A1CREBBPBRD4KDM4ETSHR | |
| SCHEMBL261185 | 0.67 | CALCRL (0.51) | MAPTALDH1A1BRD4KDM4EHTT | |
| SCHEMBL5025547 | 0.66 | ALDH1A1 (0.50) | EGFRALDH1A1HSD17B10GLANPC1 | |
| SCHEMBL6985693 | 0.63 | ITGB1 (0.49) | ALDH1A1ITGB3ITGB2ITGB1ITGAV | |
| SCHEMBL261440 | 0.63 | MAPT (0.45) | MAPTCREBBPBRD4NPC1MAPK13 | |
| SCHEMBL11665810 | 0.63 | ITGB3 (0.57) | MAPTALDH1A1POLBITGB3ITGB2 | |
| SCHEMBL3338745 | 0.62 | HSD17B10 (0.46) | MAPTEGFRALDH1A1POLBBLM | |
| SCHEMBL29437021 | 0.62 | HSD17B10 (0.46) | MAPTEGFRALDH1A1POLBBLM | |
| SCHEMBL7432533 | 0.61 | MAPT (0.50) | MAPTALDH1A1CREBBPBRD4NPC1 | |
| SCHEMBL1822381 | 0.61 | HSD17B10 (0.44) | MAPTEGFRALDH1A1POLBBLM |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2166842-A1 | TRICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS | Merck Sharp & Dohme Corp. (US) | 2010-03-31 | — | — | EP | disclosed |
| WO-2008153852-A1 | TRICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2008-12-18 | — | — | WO | disclosed |