Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 9/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.32 |
| ▸ | CLK1 | P49759 | 1/20 | 0.31 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.31 |
| ▸ | ACVR1B | P36896 | 2/20 | 0.31 |
| ▸ | ACVRL1 | P37023 | 2/20 | 0.31 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.31 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.31 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.31 |
| ▸ | MPO | P05164 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 2/20 | 0.31 |
| ▸ | ACP1 | P24666 | 1/20 | 0.31 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.31 |
| ▸ | PIK3R1 | P27986 | 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 | |
|---|---|---|---|---|
| SCHEMBL2596766 | 0.76 | TGFBR1 (0.48) | TGFBR1CYP3A4CYP2C8 | |
| SCHEMBL2596866 | 0.70 | TGFBR1 (0.53) | TGFBR1CYP3A4CYP2C8 | |
| SCHEMBL2596817 | 0.65 | MPO (0.41) | MPO | |
| SCHEMBL2596940 | 0.64 | TGFBR1 (0.67) | TGFBR1CYP3A4CYP2C8 | |
| SCHEMBL2596854 | 0.60 | TGFBR1 (0.46) | TGFBR1CYP3A4CYP2C8ACVR1BACVRL1 | |
| SCHEMBL2596804 | 0.59 | AGPAT2 (0.39) | TGFBR1CYP3A4CYP2C8 | |
| SCHEMBL2598347 | 0.59 | TGFBR1 (0.68) | TGFBR1CYP3A4CYP2C8ACVR1BACVRL1 | |
| SCHEMBL13607904 | 0.57 | GRIN1 (0.46) | KDR | |
| SCHEMBL27585502 | 0.57 | NPSR1 (0.44) | — | |
| SCHEMBL28212221 | 0.56 | SLC2A1 (0.52) | MEN1KMT2AMPOCOMT |
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-2011146287-A1 | PYRAZOLO[4,3-B]PYRIDINE-7-AMINE INHIBITORS OF ALK5 | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-11-24 | — | — | WO | disclosed |