Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | ADH1C | P00326 | 1/20 | 0.31 |
| ▸ | ADH1A | P07327 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Cyclohexane SCHEMBL27851344 | 1.00 | ALDH1A1 (0.32) | ALDH1A1MAPK1TDP1ADH1CADH1A | |
| Ethoxycarbonyl Group SCHEMBL27496535 | 1.00 | — | — | |
| Ethoxycarbonyl Group SCHEMBL27739080 | 1.00 | — | — | |
| Cyclopentane SCHEMBL8158405 | 1.00 | ALDH1A1 (0.32) | ALDH1A1MAPK1TDP1ADH1CADH1A | |
| Ethoxycarbonyl Group SCHEMBL27790688 | 0.97 | ADH1C (0.30) | ALDH1A1MAPK1TDP1ADH1CADH1A | |
| Cyclohexane SCHEMBL27753019 | 0.97 | ADH1C (0.30) | ALDH1A1MAPK1TDP1ADH1CADH1A | |
| Cyclohexane SCHEMBL27780395 | 0.94 | SMN1; SMN2 (0.32) | — | |
| Cyclohexane SCHEMBL27635324 | 0.92 | — | — | |
| Ethoxycarbonyl Group SCHEMBL5306888 | 0.90 | ALDH1A1 (0.38) | ALDH1A1MAPK1TDP1 | |
| Ethoxycarbonyl Group SCHEMBL1332384 | 0.90 | — | — |
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-109444292-A | A kind of HPLC method separating (R)-methychlothiazide and (S)-methychlothiazide | 南京盖斯夫医药科技有限公司 | 2019-03-08 | — | — | CN | claimed |
| CN-109342612-A | A kind of HPLC method separating (R)-bendroflumethiazide and (S)-bendroflumethiazide | 南京盖斯夫医药科技有限公司 | 2019-02-15 | — | — | CN | claimed |