Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | DHFR | P00374 | 1/20 | 0.46 |
| ▸ | CCNC | P24863 | 4/20 | 0.45 |
| ▸ | CDK8 | P49336 | 4/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | F2 | P00734 | 1/20 | 0.42 |
| ▸ | PLG | P00747 | 1/20 | 0.42 |
| ▸ | PLAU | P00749 | 1/20 | 0.42 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.42 |
| ▸ | KLK1 | P06870 | 1/20 | 0.42 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 5/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL18800614 | 0.76 | ERBB2 (0.42) | CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL18800716 | 0.76 | PRKCQ (0.37) | ADORA1F2PLGPRSS1CYP1A2 | |
| SCHEMBL18800557 | 0.75 | PRSS1 (0.45) | PRSS1CYP11B1CYP11B2CYP1A2CYP3A4 | |
| SCHEMBL18800739 | 0.73 | MEN1 (0.39) | F2PLAUPRSS1 | |
| SCHEMBL18800873 | 0.72 | SCN5A (0.37) | CCNCCDK8CYP11B1CYP11B2 | |
| SCHEMBL18800606 | 0.72 | NQO2 (0.43) | F2PLAUPRSS1CYP11B1CYP11B2 | |
| SCHEMBL18800626 | 0.72 | SMN1; SMN2 (0.48) | KDM4EF2PRSS1CYP11B1CYP11B2 | |
| SCHEMBL18800610 | 0.70 | BTK (0.43) | F2PRSS1CYP11B1CYP11B2CYP3A4 | |
| SCHEMBL18800479 | 0.69 | BTK (0.54) | PRKCZALDH1A1 | |
| SCHEMBL29419521 | 0.68 | DHFR (0.56) | KDM4EDHFRCCNCCDK8ADORA2A |
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-2789615-B1 | Azaindazoles as Btk kinase modulators and use thereof | BRISTOL MYERS SQUIBB CO (US) | 2017-05-03 | — | — | EP | disclosed |