Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.66 |
| ▸ | TSHR | P16473 | 4/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.66 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.66 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | F2 | P00734 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | SCN1A | P35498 | 1/20 | 0.41 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.41 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL43962 | 0.87 | TDP1 (0.72) | TDP1TSHRALDH1A1HSD17B10LMNA | |
| SCHEMBL25264 | 0.84 | TDP1 (0.68) | TDP1TSHRALDH1A1HSD17B10LMNA | |
| SCHEMBL27551381 | 0.83 | TDP1 (0.66) | TDP1TSHRALDH1A1HSD17B10LMNA | |
| SCHEMBL3677745 | 0.83 | TDP1 (0.66) | TDP1TSHRALDH1A1HSD17B10LMNA | |
| SCHEMBL28808752 | 0.83 | TDP1 (0.66) | TDP1TSHRALDH1A1HSD17B10LMNA | |
| SCHEMBL28080657 | 0.83 | TDP1 (0.83) | TDP1TSHRALDH1A1HSD17B10LMNA | |
| SCHEMBL27488159 | 0.82 | CYP2D6 (0.51) | TDP1TSHRALDH1A1HSD17B10LMNA | |
| SCHEMBL28733 | 0.81 | TDP1 (0.64) | TDP1TSHRALDH1A1HSD17B10LMNA | |
| SCHEMBL2464406 | 0.81 | TDP1 (0.74) | TDP1TSHRALDH1A1HSD17B10LMNA | |
| SCHEMBL29625946 | 0.81 | TDP1 (0.64) | TDP1TSHRALDH1A1HSD17B10LMNA |
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-105473582-A | ISOTHIAZOLINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS | MERIAL INC | 2016-04-06 | — | — | CN | disclosed |