Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.45 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | SLC29A1 | Q99808 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | F13A1 | P00488 | 1/20 | 0.41 |
| ▸ | TGM2 | P21980 | 1/20 | 0.41 |
| ▸ | TGM1 | P22735 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL15000802 | 0.90 | SMN1; SMN2 (0.57) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 | |
| SCHEMBL23164394 | 0.84 | SMN1; SMN2 (0.52) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 | |
| SCHEMBL26090713 | 0.84 | SMN1; SMN2 (0.47) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 | |
| SCHEMBL23187621 | 0.82 | SMN1; SMN2 (0.52) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 | |
| SCHEMBL28636570 | 0.82 | SMN1; SMN2 (0.54) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 | |
| SCHEMBL23187454 | 0.79 | MEN1 (0.60) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 | |
| SCHEMBL3767544 | 0.79 | NPC1 (0.52) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 | |
| SCHEMBL23164147 | 0.77 | TMEM97 (0.49) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 | |
| SCHEMBL26127057 | 0.77 | SMN1; SMN2 (0.61) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 | |
| SCHEMBL3889285 | 0.77 | MEN1 (0.66) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021064077-A1 | SUBSTITUTED PYRAZOLOPYRIMIDINES AS IRAK4 INHIBITORS | BAYER AKTIENGESELLSCHAFT (DE) | 2021-04-08 | — | — | WO | disclosed |