Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.62 |
| ▸ | TP53 | P04637 | 2/20 | 0.62 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | RORC | P51449 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11301772 | 0.89 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2TP53MEN1KMT2A | |
| SCHEMBL11299044 | 0.85 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2TP53MEN1KMT2A | |
| SCHEMBL11302010 | 0.84 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2TP53MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL11301605 | 0.84 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2TP53MEN1KMT2A | |
| SCHEMBL11301282 | 0.78 | ALDH1A1 (0.40) | ALDH1A1SMN1; SMN2TP53MEN1KMT2A | |
| SCHEMBL11298706 | 0.78 | ALDH1A1 (0.40) | ALDH1A1SMN1; SMN2TP53MEN1KMT2A | |
| SCHEMBL2183787 | 0.77 | TP53 (1.00) | ALDH1A1SMN1; SMN2TP53MEN1KMT2A | |
| SCHEMBL14427603 | 0.77 | MEN1 (0.66) | ALDH1A1SMN1; SMN2TP53MEN1KMT2A | |
| SCHEMBL10322887 | 0.76 | KMT2A (0.61) | ALDH1A1MEN1KMT2AHPGDTSHR | |
| SCHEMBL10319986 | 0.75 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2KMT2AHPGDHTT |
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 |