Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD3 | Q9NY59 | 4/20 | 0.51 |
| ▸ | NOX1 | Q9Y5S8 | 2/20 | 0.51 |
| ▸ | MAPK13 | O15264 | 6/20 | 0.48 |
| ▸ | RAF1 | P04049 | 6/20 | 0.48 |
| ▸ | MAPK12 | P53778 | 6/20 | 0.48 |
| ▸ | MAPK11 | Q15759 | 6/20 | 0.48 |
| ▸ | MAPK14 | Q16539 | 6/20 | 0.48 |
| ▸ | MAPT | P10636 | 7/20 | 0.47 |
| ▸ | TP53 | P04637 | 3/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | MPO | P05164 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | MAPK9 | P45984 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL67817 | 0.91 | NOX1 (0.50) | SMPD3NOX1MAPK13RAF1MAPK12 | |
| SCHEMBL13693260 | 0.90 | MAPK14 (0.50) | MAPK13MAPK12MAPK11MAPK14MAPT | |
| SCHEMBL67449 | 0.89 | MAPK14 (0.61) | SMPD3NOX1MAPK13RAF1MAPK12 | |
| SCHEMBL67025 | 0.87 | MAPK13 (0.61) | SMPD3NOX1MAPK13RAF1MAPK12 | |
| SCHEMBL67820 | 0.84 | MAPK13 (0.67) | SMPD3NOX1MAPK13RAF1MAPK12 | |
| SCHEMBL68174 | 0.84 | MAPK14 (0.49) | SMPD3NOX1MAPK14MPO | |
| SCHEMBL69401 | 0.82 | MAPK13 (0.53) | SMPD3NOX1MAPK13RAF1MAPK12 | |
| SCHEMBL68940 | 0.81 | MAPK13 (0.64) | SMPD3NOX1MAPK13RAF1MAPK12 | |
| SCHEMBL69591 | 0.81 | MAPK14 (0.51) | MAPK13MAPK12MAPK11MAPK14MAPT | |
| SCHEMBL68793 | 0.81 | MAPK14 (0.68) | SMPD3NOX1MAPK13RAF1MAPK12 |
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 |
|---|---|---|---|---|---|---|---|
| US-8865732-B2 | Heterocyclic compounds and uses thereof | NOVARTIS AG (CH) | 2014-10-21 | — | — | US | disclosed |
| US-8865732-B2 | Heterocyclic compounds and uses thereof | NOVARTIS AG (CH) | 2014-10-21 | — | — | US | disclosed |
| US-20130210818-A1 | Novel Heterocyclic Compounds and Uses Thereof | NOVARTIS AG (CH) | 2013-08-15 | — | — | US | disclosed |
| US-20130210818-A1 | Novel Heterocyclic Compounds and Uses Thereof | NOVARTIS AG (CH) | 2013-08-15 | — | — | US | disclosed |
| US-8129394-B2 | Heteroaryl-substituted imidazole compounds and uses thereof | NOVARTIS AG (CH) | 2012-03-06 | — | — | US | disclosed |
| US-8129394-B2 | Heteroaryl-substituted imidazole compounds and uses thereof | NOVARTIS AG (CH) | 2012-03-06 | — | — | US | disclosed |
| US-8129394-B2 | Heteroaryl-substituted imidazole compounds and uses thereof | NOVARTIS AG (CH) | 2012-03-06 | — | — | US | disclosed |
| US-20100003246-A1 | Novel heterocyclic compounds and uses therof | NOVARTIS AG (CH) | 2010-01-07 | — | — | US | disclosed |
| US-20100003246-A1 | Novel heterocyclic compounds and uses therof | NOVARTIS AG (CH) | 2010-01-07 | — | — | US | disclosed |
| US-20100003246-A1 | Novel heterocyclic compounds and uses therof | NOVARTIS AG (CH) | 2010-01-07 | — | — | 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-20100003246-A1 | Novel heterocyclic compounds and uses therof | BRAF, ARAF, KRAS | SMPD3 2818/4885NOX1 1268/4885MAPK13 178/4885 |
| US-20130210818-A1 | Novel Heterocyclic Compounds and Uses Thereof | BRAF, RAF1, HRAS | SMPD3 2285/4885NOX1 896/4885MAPK13 197/4885 |
“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.