Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.38 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.38 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.38 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11301970 | 0.88 | TSHR (0.53) | TSHRMEN1KMT2ANPSR1POLB | |
| SCHEMBL11299044 | 0.86 | ALDH1A1 (0.46) | TSHRMEN1KMT2ANPSR1POLB | |
| Hydrochloric Acid SCHEMBL11301605 | 0.85 | ALDH1A1 (0.45) | TSHRMEN1KMT2ANPSR1POLB | |
| SCHEMBL30569971 | 0.77 | NPSR1 (0.48) | TSHRMEN1KMT2ANPSR1POLB | |
| SCHEMBL21753945 | 0.77 | NPSR1 (0.48) | TSHRMEN1KMT2ANPSR1POLB | |
| SCHEMBL11671063 | 0.75 | TSHR (0.68) | TSHRMEN1KMT2ANPSR1POLB | |
| SCHEMBL11302010 | 0.75 | ALDH1A1 (0.45) | TSHRMEN1KMT2ANPSR1POLB | |
| SCHEMBL11302038 | 0.73 | MEN1 (0.44) | TSHRMEN1KMT2APOLBHPGD | |
| SCHEMBL27623080 | 0.71 | ALDH1A1 (0.44) | MEN1KMT2ANPSR1POLBHPGD | |
| SCHEMBL11299002 | 0.70 | ALDH1A1 (0.62) | TSHRMEN1KMT2APOLBHPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012098066-A1 | 1,6- AND 1,8-NAPHTHYRIDINES USEFUL AS DYRK1 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-07-26 | — | — | WO | claimed |
| WO-2012098070-A1 | QUINOLINE DYRK1 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-07-26 | — | — | WO | claimed |
| WO-2012098066-A1 | 1,6- AND 1,8-NAPHTHYRIDINES USEFUL AS DYRK1 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-07-26 | — | — | WO | disclosed |
| WO-2012098070-A1 | QUINOLINE DYRK1 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-07-26 | — | — | WO | disclosed |