Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | RORC | P51449 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ITK | Q08881 | 1/20 | 0.36 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11298706 | 0.89 | ALDH1A1 (0.40) | ALDH1A1SMN1; SMN2TSHRMAPTTP53 | |
| SCHEMBL11301772 | 0.80 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2TSHRMAPTTP53 | |
| SCHEMBL11299002 | 0.78 | ALDH1A1 (0.62) | ALDH1A1SMN1; SMN2TSHRMAPTTP53 | |
| SCHEMBL11298893 | 0.78 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2MAPTRORCMEN1 | |
| SCHEMBL11302038 | 0.76 | MEN1 (0.44) | ALDH1A1SMN1; SMN2TSHRMAPTTP53 | |
| SCHEMBL11302010 | 0.73 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2TSHRMAPTTP53 | |
| SCHEMBL11299044 | 0.71 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2TSHRTP53RORC | |
| Hydrochloric Acid SCHEMBL11301605 | 0.71 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2TSHRTP53RORC | |
| SCHEMBL10319986 | 0.70 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2MAPTLMNAHTT | |
| SCHEMBL1926836 | 0.69 | ALDH1A1 (0.57) | ALDH1A1SMN1; SMN2TSHRMAPTTP53 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012098065-A1 | PYRIDO PYRIMIDINES FOR USE AS DYRK1 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-07-26 | — | — | WO | claimed |
| WO-2012098065-A1 | PYRIDO PYRIMIDINES FOR USE AS DYRK1 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-07-26 | — | — | WO | disclosed |