Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 7/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 6/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 4/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.37 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL4628755 | 0.79 | HDAC1 (0.48) | HDAC1HDAC3HDAC2ALDH1A1CA12 | |
| SCHEMBL5149864 | 0.77 | HDAC1 (0.47) | HDAC1HDAC3HDAC2ALDH1A1CA12 | |
| SCHEMBL21684713 | 0.75 | ADORA3 (0.48) | HDAC3NCOR2ALDH1A1L3MBTL1 | |
| SCHEMBL12948524 | 0.72 | PRKCI (0.34) | HDAC1HDAC3MAPK13MAPK12MAPK11 | |
| SCHEMBL10750818 | 0.72 | ALDH1A1 (0.42) | HDAC1HDAC3HDAC2HDAC10HDAC6 | |
| SCHEMBL29678249 | 0.71 | ALDH1A1 (0.62) | KMT2AALDH1A1MAPK1MEN1 | |
| SCHEMBL32676372 | 0.69 | MAPT (0.37) | KMT2AALDH1A1L3MBTL1MEN1CYP1A2 | |
| SCHEMBL3035099 | 0.68 | EGFR (0.41) | HDAC1HDAC3KMT2AALDH1A1MAPK1 | |
| SCHEMBL29799761 | 0.67 | CYP3A4 (0.39) | ALDH1A1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL933021 | 0.67 | CYP3A4 (0.39) | ALDH1A1MAPK13MAPK12MAPK11MAPK14 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1608627-A4 | BICYCLIC ANILIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2007-08-01 | — | — | EP | disclosed |
| EP-1608627-A2 | BICYCLIC ANILIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS | Merck & Co. Inc. (US) | 2005-12-28 | — | — | EP | disclosed |
| WO-2004082605-A2 | BICYCLIC ANILIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS | MERCK & CO. INC. (US) | 2004-09-30 | — | — | WO | disclosed |