Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA4 | P22748 | 2/20 | 0.37 |
| ▸ | CA5A | P35218 | 2/20 | 0.37 |
| ▸ | DPP4 | P27487 | 2/20 | 0.36 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.36 |
| ▸ | ANPEP | P15144 | 1/20 | 0.36 |
| ▸ | CFTR | P13569 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28000354 | 0.79 | DPP4 (0.45) | KDM4ENPC1CYP1A2CYP2D6HPGD | |
| SCHEMBL27712506 | 0.74 | INPP5A (0.35) | — | |
| SCHEMBL5420537 | 0.73 | NPSR1 (0.44) | KDM4ECA2CA4CA5ACFTR | |
| SCHEMBL27301151 | 0.69 | CHRNA7 (0.51) | KDM4ENPC1CYP1A2CYP2D6HPGD | |
| Phenylphosphonic Acid SCHEMBL19712490 | 0.69 | CA2 (0.50) | CYP1A2CYP2C19CA2CA4CA5A | |
| SCHEMBL22322009 | 0.68 | ALDH1A1 (0.43) | KDM4EMAPK1CYP2C19CA2CA4 | |
| SCHEMBL7266561 | 0.66 | LMNA (0.54) | NPC1HPGDRAB9ASMN1; SMN2 | |
| SCHEMBL459085 | 0.66 | SRC (0.50) | KDM4ENPC1CYP1A2CYP2D6HPGD | |
| SCHEMBL7128526 | 0.65 | CA2 (0.59) | CYP2C19CA2CA4CA5ACFTR | |
| SCHEMBL779109 | 0.65 | SRC (0.50) | NPC1RAB9ACA2CA4CA5A |
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 |
|---|---|---|---|---|---|---|---|
| CN-104797582-B | Substituted pyrrolo-pyrimidine radicals amino-benzothiazole ketone as MKNK inhibitors of kinases | 拜耳药业股份公司 | 2016-10-12 | — | — | CN | disclosed |
| CN-104797582-A | Substituted pyrrolopyrimidinylamino-benzothiazolones as MKNK kinase inhibitors | Bayer Pharma AG | 2015-07-22 | — | — | CN | disclosed |