Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | ARG2 | P78540 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | TOP1 | P11387 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL6265509 | 0.76 | FFAR1 (0.32) | HTT | |
| SCHEMBL6919173 | 0.74 | ALDH1A1 (0.47) | — | |
| SCHEMBL1920239 | 0.74 | — | — | |
| SCHEMBL1805094 | 0.73 | ESR1 (0.48) | CA1CA2ARG2MAOB | |
| SCHEMBL27614866 | 0.73 | ESR1 (0.48) | CA1CA2ARG2MAOB | |
| SCHEMBL2575096 | 0.72 | KDM4E (0.45) | CA1CA2ARG2MAOB | |
| SCHEMBL24042960 | 0.71 | IDO1 (0.43) | CA1CA2ARG2MAOB | |
| SCHEMBL3255735 | 0.71 | IDO1 (0.43) | CA1CA2ARG2MAOB | |
| SCHEMBL28478078 | 0.71 | AGXT (0.43) | CA1CA2ARG2MAOB | |
| SCHEMBL9047930 | 0.71 | IDO1 (0.43) | CA1CA2ARG2MAOB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000076511-A1 | CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-12-21 | — | — | WO | disclosed |