Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.34 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.32 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22562998 | 0.86 | MAPK14 (0.33) | HDAC1HDAC3HDAC2PLK1PLK3 | |
| SCHEMBL22563014 | 0.81 | MAPK1 (0.34) | MAPK1HDAC1PRSS1 | |
| SCHEMBL22563092 | 0.73 | P4HTM (0.41) | MEN1KMT2ASMN1; SMN2HDAC1HDAC8 | |
| SCHEMBL22562963 | 0.68 | MAPK14 (0.39) | ALDH1A1MEN1MAPTKMT2AHDAC1 | |
| SCHEMBL28533240 | 0.67 | BDKRB2 (0.49) | ALDH1A1MAPK1HDAC8HDAC6BDKRB2 | |
| SCHEMBL22563037 | 0.66 | RARB (0.47) | ALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL8760481 | 0.64 | ALDH1A1 (0.50) | ALDH1A1MEN1MAPTMAPK1KMT2A | |
| SCHEMBL11960754 | 0.63 | DEGS1 (0.51) | MEN1KMT2AHDAC1HDAC8HDAC6 | |
| SCHEMBL8759863 | 0.63 | NR1I2 (0.47) | ALDH1A1MEN1MAPTMAPK1KMT2A | |
| SCHEMBL21164999 | 0.62 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2HDAC8HDAC6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3725777-A1 | BENZO- AND PYRIDO-PYRAZOLES AS PROTEIN KINASE INHIBITORS | Rottapharm Biotech S.r.l. (IT) | 2020-10-21 | — | — | EP | disclosed |