Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 7/20 | 0.44 |
| ▸ | CA12 | O43570 | 5/20 | 0.44 |
| ▸ | CA1 | P00915 | 5/20 | 0.44 |
| ▸ | CA7 | P43166 | 5/20 | 0.44 |
| ▸ | CA9 | Q16790 | 5/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | RGS12 | O14924 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 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 | |
|---|---|---|---|---|
| SCHEMBL10793095 | 0.81 | — | — | |
| Bromide SCHEMBL28524370 | 0.79 | ALOX5 (0.44) | CA2CA12CA1CA7CA9 | |
| Bromide SCHEMBL4584444 | 0.79 | ALOX5 (0.44) | CA2CA12CA1CA7CA9 | |
| Water SCHEMBL9053915 | 0.79 | ALOX5 (0.44) | CA2CA12CA1CA7CA9 | |
| Hydroquinone SCHEMBL30554824 | 0.76 | TSHR (0.59) | CA2CA12CA1CA7CA9 | |
| Biphenyl SCHEMBL27639430 | 0.74 | ALOX5 (0.56) | ALOX5KDM4EGAAMAPTLMNA | |
| Chloroacetic Acid SCHEMBL23877400 | 0.71 | CA2 (0.47) | CA2CA12CA1CA7CA9 | |
| SCHEMBL29914686 | 0.68 | POLB (0.53) | POLBKDM4EGAAMAPTLMNA | |
| SCHEMBL3755148 | 0.68 | POLB (0.53) | POLBKDM4EGAAMAPTLMNA | |
| Phenol SCHEMBL23276813 | 0.68 | CA2 (0.58) | CA2CA12CA1CA9CA14 |
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 |
|---|---|---|---|---|---|---|---|
| US-4156683-A | CROWN COMPOUNDS USED AS CHELATING AGENTS | SCHERING CORPORATION (US) | 1979-05-29 | — | — | US | disclosed |
| US-4093650-A | REACTING A PHOSPHINE, A PROTIC ACID, AND P-BENZOQUINONE | THE DOW CHEMICAL COMPANY (US) | 1978-06-06 | — | — | US | disclosed |