Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDO2 | P48775 | 1/20 | 0.49 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.47 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.47 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.47 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | FYN | P06241 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.43 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.43 |
| ▸ | MGAT2 | Q10469 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL18800626 | 0.87 | SMN1; SMN2 (0.48) | PRSS1PRSS2PRSS3HSD17B10ALDH1A1 | |
| SCHEMBL18800557 | 0.83 | PRSS1 (0.45) | PRSS1PRSS2PRSS3RPS6KA3MAPT | |
| SCHEMBL18439119 | 0.80 | TDO2 (0.56) | TDO2RPS6KA3ADORA2AADORA1HSD17B10 | |
| SCHEMBL18800606 | 0.80 | NQO2 (0.43) | PRSS1PRSS2PRSS3RPS6KA3ALDH1A1 | |
| SCHEMBL18800598 | 0.77 | KDM4E (0.51) | PRSS1ADORA2AADORA1ALDH1A1MAPT | |
| SCHEMBL18800716 | 0.76 | PRKCQ (0.37) | PRSS1ADORA1ALDH1A1MAPTCYP1A2 | |
| SCHEMBL18800610 | 0.74 | BTK (0.43) | PRSS1PRSS2PRSS3HSD17B10ALDH1A1 | |
| SCHEMBL18800563 | 0.73 | BTK (0.58) | TDO2ADORA2AADORA1HSD17B10ALDH1A1 | |
| SCHEMBL18800867 | 0.72 | BTK (0.50) | PRSS1PRSS2PRSS3MAPTCYP1A2 | |
| SCHEMBL28278929 | 0.72 | PRSS1 (0.54) | TDO2PRSS1PRSS2PRSS3ADORA2A |
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 |