Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | APP | P05067 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.55 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.55 |
| ▸ | F7 | P08709 | 1/20 | 0.53 |
| ▸ | F3 | P13726 | 1/20 | 0.53 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.53 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.53 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.53 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.53 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.53 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.53 |
| ▸ | SIRT4 | Q9Y6E7 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL799239 | 0.82 | ALDH1A1 (0.52) | ALDH1A1APPGAAHCAR3HCAR2 | |
| SCHEMBL9763711 | 0.76 | PKM (0.74) | ALDH1A1PKMSMN1; SMN2CHRNB2CHRNB4 | |
| SCHEMBL28324494 | 0.76 | ALDH1A1 (0.57) | ALDH1A1APPGAAHCAR3HCAR2 | |
| SCHEMBL6272236 | 0.75 | ELANE (0.54) | ALDH1A1APPGAAHCAR3HCAR2 | |
| Hydrochloric Acid SCHEMBL1596692 | 0.74 | PKM (0.72) | ALDH1A1PKMSMN1; SMN2CHRNB2CHRNB4 | |
| SCHEMBL27358897 | 0.74 | — | — | |
| SCHEMBL1242243 | 0.73 | ALDH1A1 (0.71) | ALDH1A1APPGAAHCAR3HCAR2 | |
| SCHEMBL29915528 | 0.73 | ALDH1A1 (0.71) | ALDH1A1APPGAAHCAR3HCAR2 | |
| SCHEMBL2784997 | 0.73 | ALDH1A1 (0.71) | ALDH1A1APPGAAHCAR3HCAR2 | |
| SCHEMBL22702163 | 0.73 | PKM (0.66) | ALDH1A1GAAPKMCHRNB2CHRNB4 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130131041-A1 | SPIROCYCLIC COMPOUNDS | MERCK SHARP & DOHME CORP. (US) | 2013-05-23 | — | — | US | disclosed |
| US-8349825-B2 | Spirocyclic compounds | MERCK SHARP & DOHME CORP. (US) | 2013-01-08 | — | — | 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-20090209566-A1 | Spirocyclic Compounds | MERCK SHARP & DOHME LLC | 2009-08-20 | — | — | US | disclosed |
| EP-1954698-B1 | SPIROCYCLIC COMPOUNDS AS HDAC INHIBITORS | MERCK & CO INC (US) | 2009-06-24 | — | — | EP | disclosed |
| US-7544695-B2 | Spirocyclic compounds | MERCK & CO., INC. (US) | 2009-06-09 | — | — | US | disclosed |
| EP-1954698-A1 | SPIROCYCLIC COMPOUNDS AS HDAC INHIBITORS | Merck & Co., Inc. (US) | 2008-08-13 | — | — | EP | disclosed |
| WO-2007061978-A1 | SPIROCYCLIC COMPOUNDS AS HDAC INHIBITORS | MERCK & CO., INC. (US) | 2007-05-31 | — | — | WO | disclosed |
| WO-2007061880-A1 | SPIROCYCLIC COMPOUNDS AS HDAC INHIBITORS | MERCK & CO., INC. (US) | 2007-05-31 | — | — | WO | disclosed |
| US-20070117824-A1 | Spirocyclic compounds | MERCK SHARP & DOHME LLC | 2007-05-24 | — | — | 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 (4 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 | ALDH1A1 709/4885APP 1465/4885GAA 2383/4885 |
| US-20090209566-A1 | Spirocyclic Compounds | NR1H2, RORA, NR2E3 | ALDH1A1 946/4885APP 1366/4885GAA 3787/4885 |
| US-20070117824-A1 | Spirocyclic compounds | BRDT, TXNRD3, HDAC1 | ALDH1A1 709/4885APP 1465/4885GAA 2383/4885 |
| US-20130131041-A1 | SPIROCYCLIC COMPOUNDS | BRDT, TXNRD3, HDAC1 | ALDH1A1 709/4885APP 1465/4885GAA 2383/4885 |
“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.