Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | APLNR | P35414 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | RAD52 | P43351 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.36 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29590251 | 0.90 | CA12 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL3822579 | 0.90 | CA12 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29670263 | 0.89 | CA12 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL20526307 | 0.88 | CA12 (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL20591130 | 0.79 | CA1 (0.40) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2887388 | 0.78 | CA12 (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2543232 | 0.76 | HDAC3 (0.36) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29589396 | 0.76 | CA12 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2546527 | 0.75 | CA12 (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29670212 | 0.75 | CA12 (0.50) | CA12CA1CA2CA7CA9 |
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-3385270-A1 | METHOD FOR PRODUCING AROMATIC COMPOUND, AND PALLADIUM COMPLEX | Sumitomo Chemical Company, Ltd (JP) | 2018-10-10 | — | — | EP | disclosed |