Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | BACE1 | P56817 | 2/20 | 0.47 |
| ▸ | NQO1 | P15559 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | TYR | P14679 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | FASN | P49327 | 1/20 | 0.38 |
| ▸ | NQO2 | P16083 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CA3 | P07451 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5511588 | 0.84 | CA1 (0.43) | CA9CA12CA1BACE1NQO1 | |
| SCHEMBL8763410 | 0.80 | CYP3A4 (0.46) | CA9CA12CA1BACE1TDP1 | |
| SCHEMBL6634785 | 0.79 | CA9 (0.50) | CA9CA12CA1CA3CA6 | |
| SCHEMBL25421192 | 0.76 | NQO1 (0.48) | CA9CA12CA1BACE1NQO1 | |
| SCHEMBL516276 | 0.74 | CA9 (0.37) | CA9CA12CA1BACE1TDP1 | |
| SCHEMBL15524528 | 0.74 | CA1 (0.50) | CA9CA12CA1TDP1MEN1 | |
| SCHEMBL25421455 | 0.74 | ALOX5 (0.45) | CA9CA1TYRHPGDALDH1A1 | |
| SCHEMBL8764469 | 0.74 | ESR1 (0.44) | CA9CA12CA1TYR | |
| SCHEMBL19681291 | 0.73 | CA9 (0.32) | CA9CA12CA1CYP3A4CA3 | |
| SCHEMBL6803093 | 0.73 | CYP3A4 (0.43) | CA9CA12CA1TDP1CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109293493-B | Novel benzhydryl compounds with mycobacterium tuberculosis inhibiting activity | 清华大学 | 2021-08-03 | — | — | CN | disclosed |
| CN-109293493-A | With the inhibition active novel benzhydryl class compound of mycobacterium tuberculosis | 清华大学 | 2019-02-01 | — | — | CN | disclosed |