Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | JAK1 | P23458 | 1/20 | 0.37 |
| ▸ | ZAP70 | P43403 | 1/20 | 0.36 |
| ▸ | QDPR | P09417 | 2/20 | 0.36 |
| ▸ | BTK | Q06187 | 2/20 | 0.35 |
| ▸ | CCR1 | P32246 | 5/20 | 0.35 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.33 |
| ▸ | SYK | P43405 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16623578 | 0.84 | EGFR (0.35) | EGFRJAK1ZAP70 | |
| SCHEMBL17849239 | 0.78 | HDAC1 (0.46) | EGFRALDH1A1JAK1POLBHDAC3 | |
| SCHEMBL16623511 | 0.77 | TYK2 (0.38) | — | |
| SCHEMBL16623503 | 0.76 | EGFR (0.35) | EGFRJAK1 | |
| SCHEMBL16623558 | 0.76 | PARP1 (0.34) | — | |
| SCHEMBL17849188 | 0.76 | EGFR (0.40) | EGFRALDH1A1JAK1ZAP70HDAC3 | |
| SCHEMBL17849249 | 0.76 | EGFR (0.40) | EGFRALDH1A1JAK1 | |
| SCHEMBL18052623 | 0.75 | EGFR (0.36) | EGFRJAK1 | |
| SCHEMBL17849248 | 0.75 | EGFR (0.41) | EGFRALDH1A1JAK1 | |
| SCHEMBL16623568 | 0.74 | EGFR (0.38) | EGFRJAK1POLB |
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 |