Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.44 |
| ▸ | CA2 | P00918 | 4/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | PPARA | Q07869 | 3/20 | 0.43 |
| ▸ | RELA | Q04206 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 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 | |
|---|---|---|---|---|
| SCHEMBL1235922 | 0.86 | CA1 (0.46) | CA1CA2CA12CA7CA14 | |
| SCHEMBL14302717 | 0.84 | CYP2C19 (0.55) | CA1CA2CA12CA7CA14 | |
| SCHEMBL487521 | 0.80 | — | — | |
| SCHEMBL20725676 | 0.80 | ALDH1A1 (0.56) | CA1CA2CA12CA7CA14 | |
| SCHEMBL736693 | 0.80 | — | — | |
| SCHEMBL17778012 | 0.79 | CYP2C19 (0.52) | CA1CA2CA12CA7CA14 | |
| SCHEMBL25554205 | 0.78 | ALDH1A1 (0.54) | CA1CA2PPARARELAALDH1A1 | |
| SCHEMBL11512340 | 0.78 | CA1 (0.64) | CA1CA2CA12CA7CA14 | |
| SCHEMBL327308 | 0.78 | PPARA (0.60) | CA1CA2CA12CA7CA14 | |
| Hydrochloric Acid SCHEMBL4700590 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3478781-B1 | COMPOUND, ADHESIVE ARTICLE, AND METHODS OF MAKING THE SAME | 3M INNOVATIVE PROPERTIES CO (US) | 2020-05-13 | — | — | EP | disclosed |