Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | ELANE | P08246 | 2/20 | 0.34 |
| ▸ | CTSG | P08311 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9162349 | 0.83 | CA2 (0.38) | ALDH1A1TRPA1KDM4EHPGDHSD17B10 | |
| SCHEMBL2642471 | 0.77 | TSHR (0.60) | ALDH1A1TRPA1KDM4EHPGDHSD17B10 | |
| SCHEMBL2809868 | 0.77 | ALDH1A1 (0.56) | ALDH1A1TRPA1KDM4EHPGDHSD17B10 | |
| SCHEMBL874656 | 0.76 | ALDH1A1 (0.52) | ALDH1A1TRPA1KDM4EHPGDHSD17B10 | |
| SCHEMBL1869967 | 0.76 | ALDH1A1 (0.70) | ALDH1A1TRPA1KDM4EHPGDHSD17B10 | |
| SCHEMBL1312250 | 0.76 | CYP3A4 (0.43) | ALDH1A1TRPA1CYP3A4KMT2ACYP2C9 | |
| SCHEMBL2813180 | 0.76 | ALDH1A1 (0.54) | ALDH1A1TRPA1KDM4EHPGDHSD17B10 | |
| SCHEMBL49876 | 0.75 | — | — | |
| SCHEMBL2047770 | 0.75 | MAP3K14 (0.36) | ALDH1A1TRPA1CYP3A4TSHRACHE | |
| SCHEMBL1698298 | 0.74 | TSHR (0.39) | ALDH1A1TRPA1KDM4EHPGDHSD17B10 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103145662-A | N-substituted animobutyrolactone derivatives and uses thereof | SHENZHEN WANHE PHARMACEUTICAL CO LTD | 2013-06-12 | — | — | CN | claimed |
| WO-2005105843-A2 | HIV PROTEASE INHIBITORS | ARPIDA A/S (DK) | 2005-11-10 | — | — | WO | claimed |
| EP-0656066-A1 | DETECTION OF MICROORGANISMS USING GAS SENSORS | MINISTER OF AGRICULTURE, FISHERIES AND FOOD IN HER BRITANNIC MAJESTY'S GOV. OF THE U.K. OF GREAT BRITAIN AND NORTHERN IRELAND (GB) | 1995-06-07 | — | — | EP | claimed |
| WO-1994004705-A1 | DETECTION OF MICROORGANISMS USING GAS SENSORS | THE MINISTER OF AGRICULTURE FISHERIES AND FOOD IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) | 1994-03-03 | — | — | WO | claimed |
| CN-103145662-B | N-substituted animobutyrolactone derivatives and uses thereof | SHENZHEN WANHE PHARMACEUTICAL CO LTD | 2014-07-16 | — | — | CN | disclosed |
| CN-103145662-A | N-substituted animobutyrolactone derivatives and uses thereof | SHENZHEN WANHE PHARMACEUTICAL CO LTD | 2013-06-12 | — | — | CN | disclosed |
| WO-2005105843-A2 | HIV PROTEASE INHIBITORS | ARPIDA A/S (DK) | 2005-11-10 | — | — | WO | disclosed |