Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | PARG | Q86W56 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | STK17B | O94768 | 1/20 | 0.39 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | JAK3 | P52333 | 1/20 | 0.38 |
| ▸ | BTK | Q06187 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27322432 | 0.86 | ALDH1A1 (0.41) | ALDH1A1GFERMALT1DRD2PARG | |
| SCHEMBL13975444 | 0.84 | LMNA (0.47) | ALDH1A1GFERMALT1DRD2TDP1 | |
| SCHEMBL29828529 | 0.83 | SIGMAR1 (0.40) | ALDH1A1GFERMALT1DRD2TDP1 | |
| SCHEMBL18764807 | 0.83 | DRD2 (0.41) | ALDH1A1GFERMALT1DRD2TDP1 | |
| SCHEMBL24613337 | 0.83 | KMT2A (0.43) | ALDH1A1GFERMALT1DRD2TDP1 | |
| SCHEMBL13740008 | 0.83 | ALDH1A1 (0.41) | ALDH1A1GFERMALT1DRD2TDP1 | |
| SCHEMBL16899828 | 0.83 | ALDH1A1 (0.41) | ALDH1A1GFERMALT1DRD2TDP1 | |
| SCHEMBL19558618 | 0.83 | ALDH1A1 (0.41) | ALDH1A1GFERMALT1DRD2TDP1 | |
| SCHEMBL19902326 | 0.82 | L3MBTL1 (0.43) | ALDH1A1GFERMALT1DRD2TDP1 | |
| SCHEMBL17454460 | 0.82 | L3MBTL1 (0.41) | ALDH1A1GFERMALT1DRD2TDP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9808466-B2 | Macrocyclic compounds as protein kinase inhibitors | FUNDACIÓN CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III | 2017-11-07 | — | — | US | disclosed |
| US-20160296528-A1 | MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS | Fundación Del Sector Público Estatal Centro Nacional De Investigaciones Oncológicas Carlos III (F.S.P. CNIO) (ES) | 2016-10-13 | — | — | US | disclosed |
| US-20140256717-A1 | MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS | CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) | 2014-09-11 | — | — | 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-20140256717-A1 | MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS | PIM1, PIM3, PIM2 | ALDH1A1 4625/4885GFER 4442/4885MALT1 711/4885 |
| US-20160296528-A1 | MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS | PIM1, PIM3, PIM2 | ALDH1A1 4625/4885GFER 4442/4885MALT1 711/4885 |
“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.