Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK3 | P52333 | 2/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | JAK1 | P23458 | 1/20 | 0.40 |
| ▸ | BMPR1B | O00238 | 4/20 | 0.38 |
| ▸ | BMPR1A | P36894 | 4/20 | 0.38 |
| ▸ | ACVRL1 | P37023 | 4/20 | 0.38 |
| ▸ | ACVR1 | Q04771 | 4/20 | 0.38 |
| ▸ | TGFBR1 | P36897 | 3/20 | 0.38 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | ATR | Q13535 | 2/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | BTK | Q06187 | 2/20 | 0.35 |
| ▸ | CDK1 | P06493 | 1/20 | 0.35 |
| ▸ | AXL | P30530 | 1/20 | 0.34 |
| ▸ | MERTK | Q12866 | 1/20 | 0.34 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.34 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.34 |
| ▸ | FLT3 | P36888 | 1/20 | 0.34 |
| ▸ | CCNA2 | P20248 | 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 | |
|---|---|---|---|---|
| SCHEMBL18616581 | 0.89 | HRH3 (0.40) | BMPR1BBMPR1AACVRL1ACVR1TGFBR1 | |
| SCHEMBL18616300 | 0.89 | CCNA2 (0.39) | BMPR1BBMPR1AACVRL1ACVR1TGFBR1 | |
| SCHEMBL18616582 | 0.85 | RPS6KB1 (0.36) | BMPR1BBMPR1AACVRL1ACVR1TGFBR1 | |
| SCHEMBL23617062 | 0.81 | FYN (0.39) | BMPR1BBMPR1AACVRL1ACVR1TGFBR1 | |
| SCHEMBL18615822 | 0.80 | AXL (0.38) | BMPR1BBMPR1AACVRL1ACVR1TGFBR1 | |
| SCHEMBL18615374 | 0.78 | PIK3CB (0.40) | JAK2BMPR1BBMPR1AACVRL1ACVR1 | |
| SCHEMBL23616837 | 0.76 | ALOX5AP (0.33) | JAK3JAK2JAK1BMPR1BBMPR1A | |
| SCHEMBL24681232 | 0.74 | MAPK1 (0.49) | — | |
| SCHEMBL18616141 | 0.71 | BMPR1B (0.46) | BMPR1BBMPR1AACVRL1ACVR1TGFBR1 | |
| SCHEMBL22046369 | 0.71 | SMYD3 (0.34) | — |
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 |