Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Phosphine SCHEMBL7200715 | 0.84 | — | — | |
| Ammonia Solution, Strong SCHEMBL5027721 | 0.84 | — | — | |
| SCHEMBL7196734 | 0.81 | ALDH1A1 (0.35) | ALDH1A1TP53CYP3A4TSHRTDP1 | |
| Methyl Alcohol SCHEMBL27301818 | 0.81 | CA1 (0.41) | ALDH1A1TP53CYP3A4TSHRTDP1 | |
| SCHEMBL6853752 | 0.78 | — | — | |
| SCHEMBL6139750 | 0.77 | CA1 (0.38) | ALDH1A1TP53CYP3A4TSHRTDP1 | |
| Acetone SCHEMBL20186006 | 0.75 | CA1 (0.36) | ALDH1A1TP53CYP3A4TSHRTDP1 | |
| Acetaldehyde SCHEMBL6632642 | 0.75 | TSHR (0.31) | ALDH1A1TP53CYP3A4TSHRTDP1 | |
| SCHEMBL10348886 | 0.75 | — | — | |
| Acetic Acid SCHEMBL17964267 | 0.73 | PTGS1 (0.38) | ALDH1A1CYP3A4CA1CA2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1027050-A2 | ADENOSINE A3 RECEPTOR ANTAGONISTS | Takeda Chemical Industries, Ltd. (JP) | 2000-08-16 | — | — | EP | disclosed |
| WO-1999021555-A2 | ADENOSINE A3 RECEPTOR ANTAGONISTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-05-06 | — | — | WO | disclosed |