Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | TERT | O14746 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13064527 | 0.87 | KMT2A (0.46) | NOS3NOS2KMT2ATHRBHTT | |
| SCHEMBL2462899 | 0.85 | HTT (0.47) | NOS3NOS2KMT2ATHRBKDM5B | |
| SCHEMBL14872325 | 0.85 | NOS2 (0.52) | NOS3NOS2KMT2APOLBHSP90AB1 | |
| SCHEMBL13064252 | 0.82 | KMT2A (0.39) | KMT2ATHRBHTTALDH1A1GAA | |
| SCHEMBL1178768 | 0.79 | HCAR2 (0.39) | KMT2AHTTADORA3ADORA2ALMNA | |
| SCHEMBL12570442 | 0.78 | MAPT (0.49) | KMT2ATHRBHTTALDH1A1HSP90AB1 | |
| SCHEMBL11130289 | 0.76 | KCNH2 (0.47) | NOS2ESR1 | |
| SCHEMBL1179686 | 0.74 | CYP1A2 (0.46) | KMT2AALDH1A1GAAPOLBLMNA | |
| SCHEMBL21280637 | 0.73 | NOS3 (0.35) | NOS3NOS2KDM5B | |
| SCHEMBL12636463 | 0.73 | PARP1 (0.47) | NOS3NOS2KMT2AHTTALDH1A1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101514190-B | Method for preparing heterocyclic compounds of methyl mercapto under ionic liquid catalysis | UNIV DONGHUA | 2011-06-08 | — | — | CN | claimed |
| CN-101514190-A | Method for preparing heterocyclic compounds of methyl mercapto under ionic liquid catalysis | UNIV DONGHUA (CN) | 2009-08-26 | — | — | CN | claimed |
| CN-101391984-A | Method for carrying out methylation to pyrimidine heterocyclic compound containing sulfhydryl by dimethyl carbonate | UNIV DONGHUA (CN) | 2009-03-25 | — | — | CN | claimed |
| CN-101514190-B | Method for preparing heterocyclic compounds of methyl mercapto under ionic liquid catalysis | UNIV DONGHUA | 2011-06-08 | — | — | CN | disclosed |
| CN-101391984-B | Method for carrying out methylation to pyrimidine heterocyclic compound containing sulfhydryl by dimethyl carbonate | UNIV DONGHUA | 2010-12-08 | — | — | CN | disclosed |
| CN-101514190-A | Method for preparing heterocyclic compounds of methyl mercapto under ionic liquid catalysis | UNIV DONGHUA (CN) | 2009-08-26 | — | — | CN | disclosed |
| CN-101391984-A | Method for carrying out methylation to pyrimidine heterocyclic compound containing sulfhydryl by dimethyl carbonate | UNIV DONGHUA (CN) | 2009-03-25 | — | — | CN | disclosed |
| US-7238685-B2 | Benzo-fused heterocycles as endothelin antagonists | ACTELION PHARMACEUTICALS LTD. (CH) | 2007-07-03 | — | — | US | disclosed |
| US-20050124605-A1 | Novel benzo-fused heterocycles as endothelin antagonisits | ACTELION PHARMACEUTICALS LTD. | 2005-06-09 | — | — | US | disclosed |
| WO-2003013545-A1 | NOVEL BENZO-FUSED HETEROCYCLES AS ENDOTHELIN ANTAGONISITS | ACTELION PHARMACEUTICALS LTD (CH) | 2003-02-20 | — | — | WO | 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 (1 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-20050124605-A1 | Novel benzo-fused heterocycles as endothelin antagonisits | EDNRA, EDNRB, ECE1 | NOS3 493/4885NOS2 440/4885KMT2A 3442/4885 |
“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.