Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 10/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.37 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.37 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.37 |
| ▸ | CDK1 | P06493 | 1/20 | 0.37 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.37 |
| ▸ | TRPV3 | Q8NET8 | 2/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.36 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18485182 | 0.85 | NR1H2 (0.41) | NR1H2NR1H3CHRM2CHRM4CHRM1 | |
| SCHEMBL18482860 | 0.84 | NR1H2 (0.38) | NR1H2NR1H3CHRM2CHRM4CHRM1 | |
| SCHEMBL18480324 | 0.84 | MAPK13 (0.38) | NR1H2CHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL18443554 | 0.82 | NR1H2 (0.39) | NR1H2NR1H3CHRM2CHRM4CHRM1 | |
| SCHEMBL18487992 | 0.81 | NR1H2 (0.38) | NR1H2NR1H3CHRM2CHRM4CHRM1 | |
| SCHEMBL18494229 | 0.80 | GPR119 (0.40) | NR1H2NR1H3CHRM2CHRM4CHRM1 | |
| SCHEMBL18483167 | 0.79 | MAPK14 (0.45) | NR1H2 | |
| SCHEMBL13363998 | 0.77 | NR1H2 (0.38) | NR1H2NR1H3CHRM2CHRM4CHRM1 | |
| SCHEMBL12318752 | 0.76 | NR1H2 (0.54) | NR1H2NR1H3 | |
| SCHEMBL18484843 | 0.75 | NR1H2 (0.40) | NR1H2NR1H3BRD4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017024026-A1 | 3-(1H-INDOL-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINES AND THERAPEUTIC USES THEREOF | SAMUMED, LLC (US) | 2017-02-09 | — | — | WO | disclosed |
| WO-2017023993-A1 | 3-(1H-INDOL-2-YL)-1H-PYRAZOLO[4,3-B]PYRIDINES AND THERAPEUTIC USES THEREOF | SAMUMED, LLC. (US) | 2017-02-09 | — | — | WO | disclosed |
| WO-2017023973-A1 | 3-(1H-INDOL-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF | SAMUMED, LLC. (US) | 2017-02-09 | — | — | WO | disclosed |
| WO-2017023986-A1 | 3-(1H-INDOL-2-YL)-1H-INDAZOLES AND THERAPEUTIC USES THEREOF | SAMUMED, LLC (US) | 2017-02-09 | — | — | WO | disclosed |