Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | DRD4 | P21917 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | CCKAR | P32238 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | SCN1A | P35498 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.35 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3066709 | 0.79 | ALDH1A1 (0.45) | ABCB1MAPK1ALDH1A1CYP3A4L3MBTL1 | |
| Hydrochloric Acid SCHEMBL7484668 | 0.78 | ALDH1A1 (0.44) | ABCB1MAPK1ALDH1A1SLC18A3L3MBTL1 | |
| Hydrochloric Acid SCHEMBL8791052 | 0.68 | ABCB1 (0.44) | ABCB1ALDH1A1SLC18A3DRD4SLC6A2 | |
| SCHEMBL5214576 | 0.68 | ABCB1 (0.44) | ABCB1ALDH1A1SLC18A3TSHRDRD4 | |
| SCHEMBL10555746 | 0.68 | SLC18A3 (0.56) | ABCB1ALDH1A1SLC18A3TSHRDRD4 | |
| SCHEMBL5144884 | 0.68 | ABCB1 (0.44) | ABCB1ALDH1A1SLC18A3TSHRDRD4 | |
| SCHEMBL5144567 | 0.66 | SLC18A3 (0.43) | ABCB1ALDH1A1SLC18A3TSHRDRD4 | |
| SCHEMBL5144569 | 0.66 | MAPT (0.44) | ABCB1ALDH1A1SLC18A3DRD4SLC6A2 | |
| SCHEMBL10553065 | 0.65 | SLC18A3 (0.44) | ABCB1ALDH1A1SLC18A3TSHRDRD4 | |
| SCHEMBL10885369 | 0.65 | EPHX1 (0.47) | ALDH1A1CYP3A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0832079-B1 | ANTI-ISCHAEMIC HYDROXYLAMINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS | BIOREX KUTATO FEJLESZTOE KFT (HU) | 2002-03-27 | — | — | EP | disclosed |
| US-6002002-A | Anti-ischaemic hydroxylamine derivatives and pharmaceutical compositions | BIOREX RESEARCH & DEVELOPMENT CO. (HU) | 1999-12-14 | — | — | US | disclosed |
| EP-0832079-A1 | ANTI-ISCHAEMIC HYDROXYLAMINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS | BIOREX KUTATO ES FEJLESZTÖ RT. (HU) | 1998-04-01 | — | — | EP | disclosed |
| WO-1997000251-A1 | ANTI-ISCHAEMIC HYDROXYLAMINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS | BIOREX KUTATO ES FEJLESZTO RT. (HU) | 1997-01-03 | — | — | WO | disclosed |