Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F10 | P00742 | 2/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.34 |
| ▸ | EGFR | P00533 | 2/20 | 0.32 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.32 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.32 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.31 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.31 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.31 |
| ▸ | F2 | P00734 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16726656 | 0.90 | PTGS2 (0.33) | PTGS2ABCB11PTGS1PPARGNR1I3 | |
| SCHEMBL16623562 | 0.89 | LOXL2 (0.39) | F10EGFRALDH2PRSS1PRSS2 | |
| SCHEMBL16623601 | 0.88 | PRSS1 (0.37) | PTGS2EGFRALDH2PRSS1PRSS2 | |
| SCHEMBL17849242 | 0.87 | PTGS2 (0.34) | PTGS2EGFRABCB11PTGS1PPARG | |
| SCHEMBL16623485 | 0.86 | PARP1 (0.37) | — | |
| SCHEMBL16623507 | 0.85 | ITGA4 (0.33) | F10PTGS2EGFRF2 | |
| SCHEMBL16623533 | 0.82 | F10 (0.34) | F10PRSS1PRSS2PRSS3 | |
| SCHEMBL16623511 | 0.82 | TYK2 (0.38) | — | |
| SCHEMBL16623496 | 0.82 | CYP2D6 (0.42) | EGFR | |
| SCHEMBL16623603 | 0.81 | PARP1 (0.36) | ALDH2 |
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 2 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 |