Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRSS1 | P07477 | 1/20 | 0.37 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.37 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.31 |
| ▸ | CDK8 | P49336 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.30 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.30 |
| ▸ | DAO | P14920 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16623562 | 0.90 | LOXL2 (0.39) | PRSS1PRSS2PRSS3EGFRALDH2 | |
| SCHEMBL17849229 | 0.88 | F10 (0.35) | PRSS1PRSS2PRSS3EGFRALDH2 | |
| SCHEMBL16623496 | 0.85 | CYP2D6 (0.42) | EGFR | |
| SCHEMBL16623485 | 0.83 | PARP1 (0.37) | CDK8 | |
| SCHEMBL16623507 | 0.83 | ITGA4 (0.33) | EGFRPTGS2 | |
| SCHEMBL16623558 | 0.80 | PARP1 (0.34) | — | |
| SCHEMBL16726648 | 0.79 | KDR (0.33) | ALDH2 | |
| SCHEMBL16623511 | 0.79 | TYK2 (0.38) | — | |
| SCHEMBL16623603 | 0.78 | PARP1 (0.36) | ALDH2 | |
| SCHEMBL17849218 | 0.78 | HDAC6 (0.40) | MAPK14 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9371320-B2 | Heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-06-21 | — | — | US | disclosed |
| US-9371320-B2 | Heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-06-21 | — | — | US | disclosed |
| EP-2857400-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2015-04-08 | — | — | EP | disclosed |