Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.41 |
| ▸ | USP7 | Q93009 | 1/20 | 0.37 |
| ▸ | TYR | P14679 | 3/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | DHFR | P00374 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.33 |
| ▸ | RECQL | P46063 | 4/20 | 0.33 |
| ▸ | MAPT | P10636 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12381069 | 0.78 | TRPA1 (0.43) | ALDH1A1ALOX12HTTHIF1AGAA | |
| SCHEMBL15471948 | 0.78 | HTT (0.42) | ALDH1A1ALOX12HTTHIF1AGAA | |
| SCHEMBL18719676 | 0.77 | GABRA1 (0.36) | ALDH1A1ALOX12HTTHIF1AGAA | |
| SCHEMBL17953260 | 0.77 | GABRA1 (0.38) | GABRA1GABRB2NOS3NOS1NOS2 | |
| SCHEMBL16248205 | 0.77 | GABRA1 (0.42) | ALDH1A1ALOX12HTTHIF1AGAA | |
| SCHEMBL29910000 | 0.77 | GABRA1 (0.38) | GABRA1GABRB2NOS3NOS1NOS2 | |
| SCHEMBL84407 | 0.77 | NOS3 (0.56) | ALDH1A1ALOX12HTTHIF1AGAA | |
| SCHEMBL12197724 | 0.77 | TRPA1 (0.47) | ALDH1A1ALOX12HTTHIF1AGAA | |
| SCHEMBL30867968 | 0.75 | NOS3 (0.34) | ALDH1A1ALOX12HTTHIF1AGAA | |
| SCHEMBL21206568 | 0.75 | HTT (0.54) | ALDH1A1ALOX12HTTHIF1AGAA |
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 4 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-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-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 | ALDH1A1 3257/4885ALOX12 4156/4885HTT 2408/4885 |
| US-20130210818-A1 | Novel Heterocyclic Compounds and Uses Thereof | BRAF, RAF1, HRAS | ALDH1A1 2358/4885ALOX12 3761/4885HTT 3739/4885 |
“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.