Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 10/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.37 |
| ▸ | ACVR1B | P36896 | 3/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | MAP3K2 | Q9Y2U5 | 1/20 | 0.36 |
| ▸ | CDC7 | O00311 | 4/20 | 0.36 |
| ▸ | CDK2 | P24941 | 3/20 | 0.35 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | FLT3 | P36888 | 1/20 | 0.32 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.32 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.32 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.32 |
| ▸ | PRKD1 | Q15139 | 1/20 | 0.32 |
| ▸ | PRKD2 | Q9BZL6 | 1/20 | 0.32 |
| ▸ | ACP1 | P24666 | 1/20 | 0.31 |
| ▸ | TNKS | O95271 | 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 | |
|---|---|---|---|---|
| SCHEMBL12425353 | 0.89 | TGFBR1 (0.42) | TGFBR1CYP1A2CYP3A4IDO1ACVR1B | |
| SCHEMBL12425345 | 0.86 | TGFBR1 (0.42) | TGFBR1CYP1A2CYP3A4IDO1ACVR1B | |
| SCHEMBL12424675 | 0.85 | TGFBR1 (0.44) | TGFBR1CYP1A2CYP3A4IDO1ACVR1B | |
| SCHEMBL16181704 | 0.85 | TGFBR1 (0.41) | TGFBR1CYP1A2CYP3A4IDO1ACVR1B | |
| SCHEMBL14227419 | 0.85 | CYP1A2 (0.41) | TGFBR1CYP1A2CYP3A4IDO1ACVR1B | |
| SCHEMBL12424826 | 0.80 | TGFBR1 (0.43) | TGFBR1CYP1A2CYP3A4IDO1ACVR1B | |
| SCHEMBL12426285 | 0.79 | TGFBR1 (0.44) | TGFBR1CYP1A2CYP3A4IDO1ACVR1B | |
| SCHEMBL2295723 | 0.77 | TGFBR1 (0.70) | TGFBR1CYP1A2CYP3A4IDO1ACVR1B | |
| SCHEMBL12424837 | 0.77 | TGFBR1 (0.40) | TGFBR1CYP1A2CYP3A4IDO1CDC7 | |
| SCHEMBL12424834 | 0.75 | IDO1 (0.39) | TGFBR1CYP1A2CYP3A4IDO1PIM1 |
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-2011101069-A2 | HETARYLAMINONAPHTHYRIDINES | MERCK PATENT GMBH (DE) | 2011-08-25 | — | — | WO | disclosed |