Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA4 | P22748 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | ZDHHC9 | Q9Y397 | 1/20 | 0.31 |
| ▸ | MITF | O75030 | 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 | |
|---|---|---|---|---|
| SCHEMBL2638396 | 0.97 | TAAR1 (0.42) | TAAR1CA1CA2CA4CA9 | |
| SCHEMBL28480031 | 0.90 | TAAR1 (0.42) | TAAR1CA1CA2CA4CA9 | |
| SCHEMBL12501522 | 0.87 | TAAR1 (0.40) | TAAR1CA1CA2CA4CA9 | |
| SCHEMBL6162404 | 0.85 | TAAR1 (0.37) | TAAR1CA1CA2CA4CA9 | |
| SCHEMBL7062325 | 0.85 | TAAR1 (0.42) | TAAR1CA1CA2CA4CA9 | |
| SCHEMBL9801301 | 0.81 | TAAR1 (0.39) | TAAR1CA1CA2CA4CA9 | |
| Piperazine SCHEMBL28220092 | 0.80 | TAAR1 (0.40) | TAAR1CXCR4MITF | |
| SCHEMBL16846249 | 0.79 | SIGMAR1 (0.50) | TAAR1MITF | |
| SCHEMBL366506 | 0.79 | CA1 (0.42) | TAAR1CA1CA2CA4CA9 | |
| SCHEMBL9559695 | 0.79 | TAAR1 (0.54) | TAAR1CA1CA2CA4CA9 |
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-0830352-A1 | MANGANESE OR IRON COMPLEXES OF NITROGEN-CONTAINING MACROCYCLIC LIGANDS EFFECTIVE AS CATALYSTS FOR DISMUTATING SUPEROXIDE | MONSANTO COMPANY (US) | 1998-03-25 | — | — | EP | disclosed |