Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.40 |
| ▸ | BMPR1B | O00238 | 4/20 | 0.38 |
| ▸ | BMPR1A | P36894 | 4/20 | 0.38 |
| ▸ | TGFBR1 | P36897 | 4/20 | 0.38 |
| ▸ | ACVRL1 | P37023 | 4/20 | 0.38 |
| ▸ | ACVR1 | Q04771 | 4/20 | 0.38 |
| ▸ | PARP1 | P09874 | 5/20 | 0.38 |
| ▸ | PARP2 | Q9UGN5 | 3/20 | 0.37 |
| ▸ | BTK | Q06187 | 2/20 | 0.33 |
| ▸ | WNT1 | P04628 | 2/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL18616272 | 0.89 | JAK3 (0.40) | BMPR1BBMPR1ATGFBR1ACVRL1ACVR1 | |
| SCHEMBL18616300 | 0.86 | CCNA2 (0.39) | BMPR1BBMPR1ATGFBR1ACVRL1ACVR1 | |
| SCHEMBL18616582 | 0.82 | RPS6KB1 (0.36) | BMPR1BBMPR1ATGFBR1ACVRL1ACVR1 | |
| SCHEMBL22045734 | 0.82 | HRH3 (0.35) | HRH3 | |
| SCHEMBL18615822 | 0.78 | AXL (0.38) | BMPR1BBMPR1ATGFBR1ACVRL1ACVR1 | |
| SCHEMBL17303064 | 0.77 | SMYD3 (0.37) | HRH3WNT1DYRK1AALDH1A1 | |
| SCHEMBL22046373 | 0.76 | NAMPT (0.34) | HRH3PARP1WNT1DYRK1A | |
| SCHEMBL18615374 | 0.75 | PIK3CB (0.40) | BMPR1BBMPR1ATGFBR1ACVRL1ACVR1 | |
| SCHEMBL23617062 | 0.71 | FYN (0.39) | BMPR1BBMPR1ATGFBR1ACVRL1ACVR1 | |
| SCHEMBL22046249 | 0.71 | HRH3 (0.32) | HRH3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017039331-A1 | HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS | DONG-A SOCIO HOLDINGS CO., LTD. (KR) | 2017-03-09 | — | — | WO | disclosed |