Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.68 |
| ▸ | MAPT | P10636 | 4/20 | 0.55 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.41 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3698207 | 0.84 | CYP1A2 (0.72) | CYP1A2MAPTGAACA12CA1 | |
| SCHEMBL9938721 | 0.83 | CYP1A2 (0.70) | CYP1A2MAPTGAACA12CA1 | |
| SCHEMBL1478915 | 0.82 | CYP1A2 (1.00) | CYP1A2MAPTGAACA12CA1 | |
| SCHEMBL15668847 | 0.78 | CYP1A2 (0.77) | CYP1A2MAPTGAACA12CA1 | |
| SCHEMBL109583 | 0.77 | CYP1A2 (0.82) | CYP1A2MAPTGAACA12CA1 | |
| SCHEMBL185177 | 0.76 | CYP1A2 (0.86) | CYP1A2MAPTGAACA12CA1 | |
| SCHEMBL21639419 | 0.76 | CYP1A2 (0.86) | CYP1A2MAPTGAACA12CA1 | |
| SCHEMBL1032542 | 0.76 | CYP1A2 (0.79) | CYP1A2MAPTGAACA12CA1 | |
| SCHEMBL2832191 | 0.76 | CYP1A2 (0.86) | CYP1A2MAPTGAACA12CA1 | |
| SCHEMBL13311109 | 0.74 | CYP1A2 (0.77) | CYP1A2MAPTGAACA12CA1 |
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-2017215506-A1 | BENZOTRIAZOLE-DERIVED Α AND Β UNSATURATED AMIDE COMPOUND USED AS TGF-ΒR1 INHIBITOR | 南京明德新药研发股份有限公司 | 2017-12-21 | — | — | WO | disclosed |