Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11245391 | 0.79 | TSHR (0.39) | CA1CA2CA9KIF11KCNH2 | |
| SCHEMBL11257478 | 0.76 | CYP2A6 (0.35) | CA1CA2CA9GSK3BRECQL | |
| SCHEMBL3524113 | 0.76 | CA1 (0.52) | CA1CA2CA7CA9CA12 | |
| SCHEMBL11256790 | 0.75 | KIF11 (0.44) | KIF11ALDH1A1GSK3BTSHRKDM4E | |
| SCHEMBL11239349 | 0.75 | ESR1 (0.48) | CA1CA2CA9CA12CA14 | |
| SCHEMBL7061017 | 0.74 | CA1 (0.50) | CA1CA2CA7CA9CA12 | |
| SCHEMBL7592144 | 0.74 | CA1 (0.50) | CA1CA2CA7CA9CA12 | |
| SCHEMBL989065 | 0.72 | CA1 (0.48) | CA1CA2CA7CA9CA12 | |
| SCHEMBL11251258 | 0.71 | ALDH1A1 (0.42) | CA1CA2CA7CA9CA12 | |
| SCHEMBL9519127 | 0.71 | CA1 (0.46) | CA1CA2CA7CA9CA12 |
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-4366170-A | 1,2-Dibromo-2-cyano-2-(aryl)ethane(propane) antimicrobial compounds | MERCK & CO., INC. (US) | 1982-12-28 | — | — | US | claimed |
| US-4366170-A | 1,2-Dibromo-2-cyano-2-(aryl)ethane(propane) antimicrobial compounds | MERCK & CO., INC. (US) | 1982-12-28 | — | — | US | disclosed |