Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | PREP | P48147 | 2/20 | 0.32 |
| ▸ | MAOB | P27338 | 2/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | ELANE | P08246 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9075036 | 0.85 | TDP1 (0.33) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28360772 | 0.79 | CA12 (0.37) | MAOBCA12CA1CA2CA7 | |
| SCHEMBL3093326 | 0.79 | GRM6 (0.39) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2876253 | 0.76 | CA12 (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL5693160 | 0.75 | CA12 (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL5837073 | 0.74 | CA12 (0.44) | CA12CA1CA2CA7CA9 | |
| SCHEMBL15129901 | 0.73 | HDAC1 (0.43) | BACE1PREPCA12CA1CA2 | |
| SCHEMBL9070648 | 0.72 | ADRB2 (0.46) | MAPT | |
| SCHEMBL2879882 | 0.72 | SCN4A (0.35) | PREPPOLBELANEALDH1A1 | |
| SCHEMBL4841311 | 0.71 | ALDH1A1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5486466-A | ENZYME INHIBITORS | HOFFMANN-LA ROCHE INC. (US) | 1996-01-23 | — | — | US | disclosed |
| US-5399741-A | DNA gyrase inhibitors, process for their manufacture and pharmaceutical preparations containing same | HOFFMANN-LA ROCHE INC. (US) | 1995-03-21 | — | — | US | disclosed |
| EP-0535192-A1 | NOVEL DNA GYRASE INHIBITORS, PROCESS FOR THEIR MANUFACTURE AND PHARMACEUTICAL PREPARATIONS CONTAINING SAME. | HOFFMANN LA ROCHE (CH) | 1993-04-07 | — | — | EP | disclosed |