Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.59 |
| ▸ | CA1 | P00915 | 5/20 | 0.59 |
| ▸ | CA2 | P00918 | 5/20 | 0.59 |
| ▸ | CA7 | P43166 | 5/20 | 0.59 |
| ▸ | CA9 | Q16790 | 5/20 | 0.59 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.59 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.59 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.59 |
| ▸ | CHRNA7 | P36544 | 5/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | GUSB | P08236 | 2/20 | 0.43 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | RGS12 | O14924 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13385309 | 0.79 | CA12 (0.41) | CA12CA1CA2CA7CA9 | |
| SCHEMBL3905124 | 0.77 | CA12 (0.70) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9887746 | 0.75 | CES2 (0.42) | CA12CA1CA2CA7CA9 | |
| Gentisic Acid SCHEMBL3690 | 0.75 | CA1 (1.00) | CA12CA1CA2CA7CA9 | |
| SCHEMBL446275 | 0.75 | CA12 (0.67) | CA12CA1CA2CA7CA9 | |
| Gentisic Acid SCHEMBL29349919 | 0.75 | CA1 (1.00) | CA12CA1CA2CA7CA9 | |
| Gentisic Acid SCHEMBL30233582 | 0.75 | CA1 (1.00) | CA12CA1CA2CA7CA9 | |
| Gentisic Acid SCHEMBL2053863 | 0.75 | CA1 (1.00) | CA12CA1CA2CA7CA9 | |
| Gentisic Acid SCHEMBL1457618 | 0.73 | CA1 (0.95) | CA12CA1CA2CA7CA9 | |
| Gentisic Acid SCHEMBL10407885 | 0.73 | CA1 (0.95) | 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-1169294-B1 | PHARMACEUTICAL COMPOUNDS | NICOX SA (FR) | 2007-12-05 | — | — | EP | disclosed |