Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.50 |
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | F2 | P00734 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | SCN1A | P35498 | 1/20 | 0.43 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL263461 | 0.85 | TDP1 (0.58) | CYP2D6CYP2C19CYP1A2TDP1TSHR | |
| SCHEMBL444728 | 0.83 | CYP2D6 (0.61) | CYP2D6CYP2C19CYP1A2TDP1TSHR | |
| Hydrogen Peroxide SCHEMBL28730771 | 0.83 | CYP2D6 (0.61) | CYP2D6CYP2C19CYP1A2TDP1TSHR | |
| SCHEMBL5085501 | 0.83 | CYP2D6 (0.53) | CYP2D6CYP2C19CYP1A2TDP1TSHR | |
| SCHEMBL28065040 | 0.82 | TDP1 (0.66) | CYP2D6CYP2C19CYP1A2TDP1TSHR | |
| SCHEMBL2804706 | 0.81 | CYP2D6 (0.51) | CYP2D6CYP2C19CYP1A2TDP1TSHR | |
| Water SCHEMBL5946543 | 0.81 | CYP2D6 (0.59) | CYP2D6CYP2C19CYP1A2TDP1TSHR | |
| SCHEMBL11637934 | 0.81 | CYP2D6 (0.51) | CYP2D6CYP2C19CYP1A2TDP1TSHR | |
| SCHEMBL726575 | 0.81 | CYP2D6 (0.51) | CYP2D6CYP2C19CYP1A2TDP1TSHR | |
| SCHEMBL1784040 | 0.81 | CYP2D6 (0.51) | CYP2D6CYP2C19CYP1A2TDP1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-1163492-C | 'Delta' 12,13-iso-taxol analogs, antineoplastic use and pharmaceutical compositions containing them | �������Ŷ���Լ��������˾ | 2004-08-25 | — | — | CN | disclosed |