Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 5/20 | 0.45 |
| ▸ | RAB9A | P51151 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | MDM4 | O15151 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.38 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL651783 | 0.87 | KCNQ3 (0.52) | HDAC1RAB9AALDH1A1MDM4TP53 | |
| SCHEMBL651385 | 0.85 | HDAC2 (0.49) | HDAC1MDM4TP53MDM2KCNH2 | |
| SCHEMBL651516 | 0.84 | HDAC1 (0.53) | HDAC1KCNH2HDAC2CHEK2 | |
| SCHEMBL4003291 | 0.81 | HDAC1 (0.50) | HDAC1RAB9ANPC1MDM4TP53 | |
| SCHEMBL8172813 | 0.80 | HDAC1 (0.46) | HDAC1RAB9AALDH1A1NPC1MDM4 | |
| SCHEMBL8229392 | 0.80 | HDAC1 (0.68) | HDAC1MDM4TP53MDM2KCNH2 | |
| SCHEMBL2684526 | 0.73 | HDAC1 (0.45) | HDAC1HDAC2 | |
| SCHEMBL653107 | 0.71 | KCNH2 (0.49) | HDAC1ALDH1A1KCNH2MAPTCHEK2 | |
| SCHEMBL1931108 | 0.70 | HDAC1 (0.53) | HDAC1HDAC2 | |
| SCHEMBL4720338 | 0.70 | KCNQ3 (0.47) | HDAC1ALDH1A1NPC1MDM4TP53 |
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-8349825-B2 | Spirocyclic compounds | MERCK SHARP & DOHME CORP. (US) | 2013-01-08 | — | — | US | disclosed |
| US-8119652-B2 | Aryl-fused spirocyclic compounds | MERCK SHARP & DOHME CORP. (US) | 2012-02-21 | — | — | US | disclosed |
| US-20110098268-A1 | SPIROCYCLIC COMPOUNDS | MERCK & CO., INC (US) | 2011-04-28 | — | — | US | disclosed |
| US-7834026-B2 | histone deacetylase inhibitors; antiproliferative; antineoplastic; thioredoxin (TRX)-mediated diseases such as autoimmune, allergy, inflammatory diseases; and neurodegenerative diseases; N-(2-Aminophenyl)-6-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-8-yl)nicotinamide; hydroxamic acid moiety | MERCK SHARP & DOHME CORP. (US) | 2010-11-16 | — | — | US | disclosed |
| US-20090239849-A1 | Aryl-Fused Spirocyclic Compounds | MERCK SHARP & DOHME LLC | 2009-09-24 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110098268-A1 | SPIROCYCLIC COMPOUNDS | BRDT, TXNRD3, HDAC1 | HDAC1 3/4885RAB9A 3967/4885ALDH1A1 709/4885 |
| US-20090239849-A1 | Aryl-Fused Spirocyclic Compounds | HDAC1, BRDT, HDAC5 | HDAC1 1/4885RAB9A 3904/4885ALDH1A1 625/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.