Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | ELANE | P08246 | 3/20 | 0.46 |
| ▸ | IDO1 | P14902 | 2/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | THRB | P10828 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.43 |
| ▸ | LCK | P06239 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL16227196 | 0.85 | CYP1A2 (0.74) | ALDH1A1CYP1A2CYP3A4ELANEIDO1 | |
| SCHEMBL7451901 | 0.82 | CA1 (0.57) | ALDH1A1CYP1A2CYP3A4IDO1CYP19A1 | |
| SCHEMBL2252533 | 0.82 | CA1 (0.57) | ALDH1A1CYP1A2CYP3A4IDO1CYP19A1 | |
| SCHEMBL10885799 | 0.79 | CA1 (0.53) | ALDH1A1CYP1A2CYP3A4IDO1MAPT | |
| SCHEMBL7786812 | 0.78 | CA1 (0.57) | ALDH1A1CYP1A2CYP3A4IDO1CYP19A1 | |
| SCHEMBL8076766 | 0.78 | CA1 (0.57) | ALDH1A1CYP1A2CYP3A4IDO1MAPT | |
| SCHEMBL30629120 | 0.78 | CA1 (0.57) | ALDH1A1CYP1A2CYP3A4IDO1MAPT | |
| SCHEMBL13239421 | 0.77 | NPC1 (0.50) | ALDH1A1CYP1A2CYP3A4ELANEIDO1 | |
| 2-Methoxyanthraquinone SCHEMBL222927 | 0.77 | PTPN1 (0.60) | ALDH1A1CYP1A2CYP3A4ELANEMAPT | |
| SCHEMBL22336091 | 0.77 | ALDH1A1 (0.56) | ALDH1A1CYP1A2CYP3A4IDO1CYP19A1 |
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-1998018764-A1 | DIHYDROBENZOANTHRACENONE, -PYRIMIDINONE OR DIHYDRONAPHTOQUINOLINONE | MERCK PATENT GMBH (DE) | 1998-05-07 | — | — | WO | disclosed |