Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.40 |
| ▸ | FDPS | P14324 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL251220 | 0.82 | TDP1 (0.48) | TDP1ALDH1A1ALOX12HPGDALOX15 | |
| SCHEMBL272368 | 0.82 | TDP1 (0.48) | TDP1ALDH1A1ALOX12HPGDALOX15 | |
| SCHEMBL28112277 | 0.82 | TDP1 (0.48) | TDP1ALDH1A1ALOX12HPGDALOX15 | |
| SCHEMBL3461930 | 0.82 | ALDH1A1 (0.44) | TDP1ALDH1A1ALOX12HPGDALOX15 | |
| SCHEMBL11871937 | 0.81 | CYP1A2 (0.45) | TDP1ALDH1A1HPGDALOX15NPC1 | |
| SCHEMBL27477280 | 0.80 | ALDH1A1 (0.42) | TDP1ALDH1A1ALOX12HPGDALOX15 | |
| Water SCHEMBL27475250 | 0.80 | TDP1 (0.46) | TDP1ALDH1A1ALOX12HPGDALOX15 | |
| Ammonia Solution, Strong SCHEMBL2333633 | 0.80 | TDP1 (0.46) | TDP1ALDH1A1ALOX12HPGDALOX15 | |
| SCHEMBL11224549 | 0.79 | TDP1 (0.50) | TDP1ALDH1A1ALOX12HPGDALOX15 | |
| SCHEMBL11661906 | 0.79 | TDP1 (0.41) | TDP1ALDH1A1ALOX12HPGDALOX15 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101965186-A | Compositions and methods for inhibiting cytochrome p450 2d6 | SEQUOIA PHARMACEUTICALS INC | 2011-02-02 | — | — | CN | disclosed |
| CN-101674822-A | compositions and methods for inhibiting cytochrome p450 | SEQUOIA PHARMACEUTICALS INC | 2010-03-17 | — | — | CN | disclosed |
| EP-1709037-A2 | HIV PROTEASE INHIBITING SULFONAMIDES | ABBOTT LABORATORIES (US) | 2006-10-11 | — | — | EP | disclosed |
| WO-2005061450-A2 | HIV PROTEASE INHIBITING SULFONAMIDES | ABBOTT LABORATORIES (US) | 2005-07-07 | — | — | WO | disclosed |