Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | APP | P05067 | 2/20 | 0.39 |
| ▸ | BCHE | P06276 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 2/20 | 0.39 |
| ▸ | KCNH3 | Q9ULD8 | 2/20 | 0.39 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.39 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14065506 | 0.71 | KCNH3 (0.58) | L3MBTL1NPC1RAB9ACYP1A2CYP2C19 | |
| SCHEMBL301484 | 0.68 | EGFR (0.57) | CDK5 | |
| SCHEMBL14117997 | 0.66 | PKM (0.58) | L3MBTL1CYP1A2CYP2C19PKMKCNH3 | |
| Aniline SCHEMBL28092387 | 0.66 | PKM (0.50) | L3MBTL1NPC1RAB9ACYP1A2CYP2C19 | |
| SCHEMBL12421837 | 0.65 | MEN1 (0.73) | L3MBTL1NPC1RAB9ACYP1A2CYP2C19 | |
| SCHEMBL11318927 | 0.65 | MAPT (0.57) | L3MBTL1NPC1RAB9ACYP1A2CYP2C19 | |
| SCHEMBL14117985 | 0.64 | FCGR3B (0.54) | L3MBTL1NPC1RAB9ACYP1A2CYP2C19 | |
| SCHEMBL31149853 | 0.64 | FCGR3B (0.54) | L3MBTL1NPC1RAB9ACYP1A2CYP2C19 | |
| SCHEMBL16929572 | 0.64 | PKM (0.49) | L3MBTL1NPC1RAB9ACYP1A2CYP2C19 | |
| SCHEMBL24701332 | 0.63 | CA1 (0.36) | CYP1A2CYP2C19 |
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-3800188-A1 | SUBSTITUTED PYRAZOLOPYRIMIDINES AS IRAK4 INHIBITORS | Bayer AG (DE) | 2021-04-07 | — | — | EP | disclosed |