Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | MGLL | Q99685 | 3/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL235384 | 0.88 | TSHR (0.54) | TSHRALDH1A1MAPK1TP53CYP3A4 | |
| Oxalic Acid SCHEMBL28735102 | 0.86 | TSHR (0.52) | TSHRALDH1A1MAPK1TP53CYP3A4 | |
| Hydrogen Peroxide SCHEMBL27921718 | 0.85 | TSHR (0.62) | TSHRALDH1A1MAPK1TP53CYP3A4 | |
| Bicarbonate SCHEMBL28558027 | 0.84 | ALDH1A1 (0.50) | TSHRALDH1A1MAPK1TP53CYP3A4 | |
| Carbamic Acid SCHEMBL27463719 | 0.84 | TSHR (0.50) | TSHRALDH1A1MAPK1TP53CYP3A4 | |
| Acetic Acid SCHEMBL28845095 | 0.84 | ALDH1A1 (0.53) | TSHRALDH1A1MAPK1TP53CYP3A4 | |
| SCHEMBL27411588 | 0.83 | TSHR (0.50) | TSHRALDH1A1MAPK1TP53CYP3A4 | |
| Succinic Acid SCHEMBL27818706 | 0.82 | TSHR (0.48) | TSHRALDH1A1MAPK1TP53CYP3A4 | |
| Malonic Acid SCHEMBL27324468 | 0.82 | TSHR (0.48) | TSHRALDH1A1MAPK1TP53CYP3A4 | |
| Acetone SCHEMBL18343602 | 0.81 | ALDH1A1 (0.55) | TSHRALDH1A1MAPK1TP53CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011146595-A2 | ZWITTERIONIC REAGENTS | SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) | 2011-11-24 | — | — | WO | disclosed |