Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 1/20 | 0.35 |
| ▸ | ACACA | Q13085 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8585662 | 0.86 | ACACB (0.31) | ACACBACACAALDH1A1 | |
| SCHEMBL8585035 | 0.82 | ACACB (0.35) | ACACBACACATSHRALDH1A1CYP2D6 | |
| SCHEMBL8583624 | 0.78 | CA1 (0.35) | — | |
| SCHEMBL925732 | 0.72 | MAPK1 (0.36) | TSHRALDH1A1MAPK1 | |
| SCHEMBL8585232 | 0.71 | AOC3 (0.51) | — | |
| Propylene Glycol SCHEMBL1497509 | 0.71 | TDP1 (0.43) | ACACBACACATSHRTP53ALDH1A1 | |
| SCHEMBL10207205 | 0.70 | TSHR (0.38) | ACACBACACATSHRALDH1A1CYP2D6 | |
| SCHEMBL22044608 | 0.69 | TSHR (0.42) | ACACBACACATSHRTP53ALDH1A1 | |
| SCHEMBL16390585 | 0.69 | TSHR (0.40) | ACACBACACATSHRALDH1A1CYP2D6 | |
| SCHEMBL5716885 | 0.69 | TP53 (0.36) | ACACBACACATSHRTP53ALDH1A1 |
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-0839032-A4 | HYDROXYL IONS AS UNIQUE THERAPEUTIC AGENTS AND COMPOUNDS THAT MODULATE IONS, COMPOUNDS | FHJ SCIENT INC (US) | 1998-07-08 | — | — | EP | disclosed |
| EP-0839032-A1 | HYDROXYL IONS AS UNIQUE THERAPEUTIC AGENTS AND COMPOUNDS THAT MODULATE IONS, COMPOUNDS | FHJ SCIENTIFIC, INC. (US) | 1998-05-06 | — | — | EP | disclosed |
| US-5679711-A | Hydroxyl ions as novel therapeutic agents and compounds that modulate these ions, compositions employing these agents, therapeutic methods for using such agents | FHJ SCIENTIFIC, INC. (US) | 1997-10-21 | — | — | US | disclosed |
| WO-1996040104-A1 | HYDROXYL IONS AS UNIQUE THERAPEUTIC AGENTS AND COMPOUNDS THAT MODULATE IONS, COMPOUNDS | FHJ SCIENTIFIC, INC. (US) | 1996-12-19 | — | — | WO | disclosed |