Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.45 |
| ▸ | CA1 | P00915 | 4/20 | 0.45 |
| ▸ | CA2 | P00918 | 4/20 | 0.45 |
| ▸ | CA9 | Q16790 | 4/20 | 0.45 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.39 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 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 | |
|---|---|---|---|---|
| SCHEMBL8516215 | 0.90 | ALDH1A1 (0.49) | CA12CA1CA2CA9PTPN11 | |
| SCHEMBL9117658 | 0.83 | ALDH1A1 (0.47) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL9119461 | 0.82 | PTPN1 (0.46) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL9116566 | 0.82 | ALDH1A1 (0.45) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL9236586 | 0.81 | PTPN11 (0.53) | PTPN11ALDH1A1NPSR1 | |
| SCHEMBL9116472 | 0.81 | ALDH1A1 (0.65) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL9117745 | 0.79 | ALDH1A1 (0.45) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL12444101 | 0.77 | ALDH1A1 (0.47) | CA12CA1CA2CA9PTPN11 | |
| SCHEMBL12444079 | 0.77 | CA12 (0.47) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL12444078 | 0.77 | CA12 (0.45) | CA12CA1CA2CA9ALDH1A1 |
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-1995017888-A1 | PHENYLMETHYL HEXANAMIDES, AND THE USE THEREOF | SMITHKLINE BEECHAM CORPORATION (US) | 1995-07-06 | — | — | WO | disclosed |