Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CISD1 | Q9NZ45 | 9/20 | 0.42 |
| ▸ | CA12 | O43570 | 5/20 | 0.41 |
| ▸ | CA9 | Q16790 | 5/20 | 0.41 |
| ▸ | CA2 | P00918 | 4/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA3 | P07451 | 2/20 | 0.40 |
| ▸ | CA4 | P22748 | 2/20 | 0.40 |
| ▸ | CA6 | P23280 | 2/20 | 0.40 |
| ▸ | CA5A | P35218 | 2/20 | 0.40 |
| ▸ | CA7 | P43166 | 2/20 | 0.40 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.40 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | GABRP | O00591 | 1/20 | 0.38 |
| ▸ | GABRD | O14764 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL750714 | 0.82 | CYP1A2 (0.46) | CA12CA9MCL1GABRPGABRD | |
| SCHEMBL28692384 | 0.78 | MCL1 (0.50) | MCL1PPARA | |
| SCHEMBL29789878 | 0.78 | MCL1 (0.50) | MCL1PPARA | |
| SCHEMBL5482471 | 0.76 | MCL1 (0.43) | CA12CA9CA2MCL1CYP2C9 | |
| SCHEMBL414559 | 0.76 | CA2 (0.43) | CA12CA9CA2CA1CA3 | |
| SCHEMBL10607191 | 0.74 | MCL1 (0.44) | CA12CA9MCL1HSD17B10PPARA | |
| SCHEMBL10487695 | 0.73 | MCL1 (0.46) | MCL1CYP2C9HSD17B10GABRPGABRD | |
| Water SCHEMBL10398701 | 0.73 | MCL1 (0.43) | CA12CA9MCL1HSD17B10PPARA | |
| SCHEMBL40220 | 0.73 | SELL (0.53) | MCL1PPARA | |
| SCHEMBL1832618 | 0.73 | MAPT (0.39) | MCL1GABRPGABRDGABRA1GABRB1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1234358-C | Benzothiazole derivatives | HOFFMANN LA ROCHE (CH) | 2006-01-04 | — | — | CN | disclosed |
| CN-1437471-A | Benzothiazole derivatives | HOFFMANN LA ROCHE (CH) | 2003-08-20 | — | — | CN | disclosed |
| CN-1074368-A | The dispersion conveying solid substance dosage form of controlled release medicine | MERCK & CO INC (US) | 1993-07-21 | — | — | CN | disclosed |