Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | TTR | P02766 | 1/20 | 0.41 |
| ▸ | F2 | P00734 | 2/20 | 0.41 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.41 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.41 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SCN1A | P35498 | 2/20 | 0.39 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.39 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| 2-Allylphenol SCHEMBL27990533 | 0.90 | CA2 (0.44) | CA2CA1CA9TTRF2 | |
| 2-Allylphenol SCHEMBL28147093 | 0.89 | CA2 (0.43) | CA2CA1CA9TTRF2 | |
| SCHEMBL30700 | 0.87 | GABRA1 (0.44) | TTRGABRA1GABRB2KDM4EALDH1A1 | |
| SCHEMBL6548552 | 0.87 | GABRA1 (0.44) | TTRGABRA1GABRB2KDM4EALDH1A1 | |
| SCHEMBL9407396 | 0.86 | CYP2D6 (0.41) | CA2CA1CA9GABRA1GABRB2 | |
| Phosphine SCHEMBL4233486 | 0.86 | GABRA1 (0.43) | TTRGABRA1GABRB2KDM4EALDH1A1 | |
| SCHEMBL3774653 | 0.86 | GABRA1 (0.43) | TTRGABRA1GABRB2KDM4EALDH1A1 | |
| Water SCHEMBL10337655 | 0.86 | GABRA1 (0.43) | TTRGABRA1GABRB2KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL3958477 | 0.86 | GABRA1 (0.43) | TTRGABRA1GABRB2KDM4EALDH1A1 | |
| Phosphine SCHEMBL4233487 | 0.86 | GABRA1 (0.43) | TTRGABRA1GABRB2KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0537318-A1 | NEW NON-HYGROSCOPIC MONO-AMMONIUM SALTS. | ALKALOIDA VEGYESZETI GYAR (HU) | 1993-04-21 | — | — | EP | disclosed |
| WO-1992018513-A1 | NEW NON-HYGROSCOPIC MONO-AMMONIUM SALTS | ALKALOIDA VEGYÉSZETI GYÁR RT. (HU) | 1992-10-29 | — | — | WO | disclosed |