Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | KIF11 | P52732 | 2/20 | 0.40 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | CA3 | P07451 | 1/20 | 0.34 |
| ▸ | CA6 | P23280 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | HRH2 | P25021 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1339032 | 0.73 | CYP2A6 (0.42) | CYP2A6ALDH1A1KIF11MMP3PTGS2 | |
| SCHEMBL13700677 | 0.72 | ALDH1A1 (0.42) | ALDH1A1TSHRHSD17B10NOTUM | |
| SCHEMBL13760183 | 0.72 | BACE1 (0.46) | ALDH1A1PTGS2CYP11B2CYP11B1CA12 | |
| SCHEMBL13368892 | 0.69 | PTGS2 (0.37) | ALDH1A1PTGS2GAACYP11B2CYP11B1 | |
| SCHEMBL20749368 | 0.68 | CYP2A6 (0.61) | CYP2A6ALDH1A1KIF11MMP3PTGS2 | |
| SCHEMBL13849372 | 0.68 | ALDH1A1 (0.38) | ALDH1A1 | |
| SCHEMBL396846 | 0.67 | MMP3 (0.74) | CYP2A6ALDH1A1KIF11MMP3CYP11B2 | |
| Water SCHEMBL11055485 | 0.67 | MMP3 (0.74) | CYP2A6ALDH1A1KIF11MMP3CYP11B2 | |
| SCHEMBL26246 | 0.67 | MMP3 (0.74) | CYP2A6ALDH1A1KIF11MMP3CYP11B2 | |
| SCHEMBL13063633 | 0.67 | MMP3 (0.74) | CYP2A6ALDH1A1KIF11MMP3CYP11B2 |
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-2055710-A1 | Novel organic electroluminescent compounds and organic electroluminescent device using the same | Gracel Display Inc. (KR) | 2009-05-06 | — | — | EP | disclosed |