Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 6/20 | 0.64 |
| ▸ | MAPT | P10636 | 2/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.64 |
| ▸ | GLA | P06280 | 1/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | HPGD | P15428 | 1/20 | 0.64 |
| ▸ | PGAM1 | P18669 | 1/20 | 0.64 |
| ▸ | CASP1 | P29466 | 1/20 | 0.64 |
| ▸ | CASP7 | P55210 | 1/20 | 0.64 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.64 |
| ▸ | TTR | P02766 | 2/20 | 0.57 |
| ▸ | NPC1 | O15118 | 5/20 | 0.55 |
| ▸ | RAB9A | P51151 | 4/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL3371085 | 0.98 | MAOA (0.62) | MAOAMAPTSMN1; SMN2KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL3367659 | 0.98 | MAOA (0.62) | MAOAMAPTSMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL3367530 | 0.95 | MAOA (0.58) | MAOAMAPTSMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL3367505 | 0.94 | MAOA (0.56) | MAOAMAPTSMN1; SMN2KDM4EALDH1A1 | |
| Perchlorate SCHEMBL3369538 | 0.94 | MAOA (0.56) | MAOAMAPTSMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL3371463 | 0.89 | MAOA (0.51) | MAOAMAPTSMN1; SMN2KDM4EALDH1A1 | |
| Acetic Acid SCHEMBL3370904 | 0.89 | NPC1 (0.61) | MAOAMAPTSMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL3367571 | 0.89 | MAOA (0.51) | MAOAMAPTSMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL3368454 | 0.87 | MAOA (0.49) | MAOAMAPTSMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL3370825 | 0.87 | TTR (0.49) | MAOAMAPTSMN1; SMN2KDM4EALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1953149-B1 | A heterocycle-containing onium salt | WAKO PURE CHEM IND LTD (JP) | 2010-10-06 | — | — | EP | claimed |
| EP-1953149-A2 | A heterocycle-containing onium salt | Wako Pure Chemical Industries, Ltd. (JP) | 2008-08-06 | — | — | EP | claimed |
| EP-1953149-B1 | A heterocycle-containing onium salt | WAKO PURE CHEM IND LTD (JP) | 2010-10-06 | — | — | EP | disclosed |
| EP-1953149-A2 | A heterocycle-containing onium salt | Wako Pure Chemical Industries, Ltd. (JP) | 2008-08-06 | — | — | EP | disclosed |
| EP-1481973-A1 | HETEROCYCLE-BEARING ONIUM SALTS | Wako Pure Chemical Industries, Ltd. (JP) | 2004-12-01 | — | — | EP | disclosed |