Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | GLA | P06280 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | NQO1 | P15559 | 1/20 | 0.40 |
| ▸ | VKORC1 | Q9BQB6 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 4/20 | 0.39 |
| ▸ | CA9 | Q16790 | 4/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.36 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20420799 | 0.86 | CA12 (0.49) | ALDH1A1SMN1; SMN2MAPTNQO1CA12 | |
| SCHEMBL20420803 | 0.85 | CA9 (0.49) | ALDH1A1SMN1; SMN2HPGDRAB9AAR | |
| SCHEMBL20420715 | 0.83 | CA12 (0.49) | ALDH1A1GAANQO1CA12CA9 | |
| SCHEMBL20420786 | 0.82 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2MAPTKDM4EGLA | |
| SCHEMBL20420774 | 0.81 | PTGS2 (0.44) | NQO1CA12CA9CA1PTGS2 | |
| SCHEMBL20428325 | 0.80 | HPGD (0.61) | ALDH1A1SMN1; SMN2MAPTKDM4EGLA | |
| SCHEMBL20420779 | 0.79 | CA12 (0.53) | MAPTGAANQO1CA12CA9 | |
| SCHEMBL20420801 | 0.78 | HPGD (0.51) | ALDH1A1SMN1; SMN2MAPTKDM4EHPGD | |
| SCHEMBL20420768 | 0.76 | ABCG2 (0.47) | ALDH1A1SMN1; SMN2MAPTKDM4EGLA | |
| SCHEMBL20420804 | 0.76 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2MAPTKDM4EHPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-3354648-A1 | 4-SUBSTITUED COUMARIN DERIVATIVE, AND PREPARATION METHOD AND USE THEREOF | Guizhou Bailing Group Pharmaceutical Co., Ltd. (CN) | 2018-08-01 | — | — | EP | disclosed |