Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MGLL | Q99685 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21068846 | 0.98 | CA2 (0.45) | CA2CA1TSHRCA9TDP1 | |
| SCHEMBL9107341 | 0.90 | CA2 (0.49) | CA2CA1TSHRCA9MGLL | |
| SCHEMBL29287385 | 0.83 | TSHR (0.50) | CA2CA1TSHRCA9TDP1 | |
| SCHEMBL4625553 | 0.81 | CA2 (0.55) | CA2CA1CA9CES1 | |
| SCHEMBL777315 | 0.81 | CA2 (0.66) | CA2CA1TSHRCA9MGLL | |
| SCHEMBL7399184 | 0.81 | TSHR (0.44) | CA2CA1TSHRCA9TDP1 | |
| SCHEMBL30123980 | 0.80 | CA2 (0.43) | CA2CA1TSHRCA9MGLL | |
| SCHEMBL2076982 | 0.80 | ALDH1A1 (0.47) | CA2CA1TSHRCA9TDP1 | |
| SCHEMBL8007555 | 0.80 | CA2 (0.54) | CA2CA1CA9MGLLCES1 | |
| Ammonia Solution, Strong SCHEMBL28512991 | 0.79 | CA2 (0.64) | CA2CA1TSHRCA9MGLL |
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-2012062229-A1 | A METHOD OF MANUFACTURING (-)-L-(3-HYDROXYPROPYL)-5-[(2R)-2-({2,2,2-TRIFLUOROETHOXY)- PHENOXYETHYL}AMINO)PROPYL]-2,3-DIHYDRO-LH-INDOLE-7-CARBOXAMIDE | ZENTIVA, K.S. (CZ) | 2012-05-18 | — | — | WO | disclosed |