Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | ESR1 | P03372 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | VDR | P11473 | 1/20 | 0.43 |
| ▸ | ALPL | P05186 | 3/20 | 0.42 |
| ▸ | HTR6 | P50406 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3918843 | 0.83 | MEN1 (0.49) | MEN1KMT2AESR1GAAESR2 | |
| SCHEMBL11001743 | 0.78 | MAOA (0.58) | MEN1KMT2AESR1GAAESR2 | |
| Hydrogen Sulfide SCHEMBL6877387 | 0.76 | CA12 (0.54) | MEN1KMT2AGAACA12CA1 | |
| SCHEMBL5671449 | 0.76 | MAOB (0.45) | MEN1KMT2AESR1GAAESR2 | |
| SCHEMBL3517598 | 0.74 | CYP2A6 (0.40) | CYP2A6GAAKCNA3CA12CA1 | |
| Hydrogen Sulfide SCHEMBL6881209 | 0.74 | CYP2A6 (0.55) | CYP2A6CYP3A4LMNAKCNA3CA12 | |
| SCHEMBL27738814 | 0.74 | EPHX2 (0.58) | MEN1KMT2AESR1GAAESR2 | |
| SCHEMBL5670908 | 0.73 | MAOB (0.58) | GAACYP3A4CA12CA1CA9 | |
| SCHEMBL1073454 | 0.73 | MEN1 (0.68) | MEN1KMT2AESR1GAAESR2 | |
| SCHEMBL8464810 | 0.72 | CYP2A6 (0.56) | CYP2A6CYP3A4LMNAKCNA3CA12 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1481973-A1 | HETEROCYCLE-BEARING ONIUM SALTS | Wako Pure Chemical Industries, Ltd. (JP) | 2004-12-01 | — | — | EP | disclosed |