Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | ASPH | Q12797 | 1/20 | 0.44 |
| ▸ | KDM8 | Q8N371 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | CRHR1 | P34998 | 2/20 | 0.43 |
| ▸ | APP | P05067 | 1/20 | 0.43 |
| ▸ | VNN1 | O95497 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.41 |
| ▸ | PDE9A | O76083 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13384583 | 0.82 | KDM4E (0.45) | ALDH1A1APPMEN1NPC1RAB9A | |
| SCHEMBL10224745 | 0.81 | CRHR1 (0.49) | CDK1ASPHKDM8HDAC3HDAC1 | |
| SCHEMBL84402 | 0.80 | KCNH2 (0.54) | CDK1MEN1NPC1RAB9AKMT2A | |
| SCHEMBL84029 | 0.79 | CLK4 (0.57) | CDK1VNN1 | |
| SCHEMBL84099 | 0.78 | CDK4 (0.43) | — | |
| SCHEMBL84026 | 0.74 | ACACB (0.40) | ALDH1A1POLBGAA | |
| SCHEMBL14004971 | 0.73 | HRH4 (0.50) | — | |
| SCHEMBL84443 | 0.73 | HRH4 (0.44) | CDK1ALDH1A1 | |
| SCHEMBL13879819 | 0.72 | PKM (0.52) | ALDH1A1HDAC1HDAC6MEN1KMT2A | |
| SCHEMBL84439 | 0.72 | HRH4 (0.54) | — |
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 6 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-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 |
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 | CDK1 53/4885ALDH1A1 3257/4885ASPH 1915/4885 |
| US-20130210818-A1 | Novel Heterocyclic Compounds and Uses Thereof | BRAF, RAF1, HRAS | CDK1 55/4885ALDH1A1 2358/4885ASPH 3144/4885 |
“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.