Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | MME | P08473 | 3/20 | 0.40 |
| ▸ | XDH | P47989 | 2/20 | 0.40 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.40 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.40 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.39 |
| ▸ | GRM5 | P41594 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.39 |
| ▸ | WNT3A | P56704 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
| ▸ | MRE11 | P49959 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.36 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.36 |
| ▸ | ACE | P12821 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4018176 | 1.00 | SLC22A12 (0.42) | SLC22A12CYP19A1MMEXDHITGB1 | |
| SCHEMBL4448448 | 0.93 | CYP19A1 (0.41) | SLC22A12CYP19A1MMEXDHITGB1 | |
| SCHEMBL9448762 | 0.90 | MMP8 (0.41) | CYP19A1MMEXDHFFAR4GRM5 | |
| SCHEMBL8317308 | 0.87 | MME (0.54) | MMEITGB1ITGA4PTPN1FFAR1 | |
| SCHEMBL27792670 | 0.82 | MMP8 (0.46) | CYP19A1XDHGRM5DGAT1WNT3A | |
| SCHEMBL8316083 | 0.81 | MME (0.53) | MMEITGB1ITGA4PTPN1FFAR1 | |
| SCHEMBL2572010 | 0.80 | MME (0.52) | MMEITGB1ITGA4PTPN1FFAR1 | |
| SCHEMBL9710320 | 0.79 | MME (0.51) | MMEITGB1ITGA4PTPN1FFAR1 | |
| SCHEMBL9710577 | 0.78 | MME (0.50) | MMEITGB1ITGA4PTPN1FFAR1 | |
| SCHEMBL9710219 | 0.78 | MME (0.50) | MMEITGB1ITGA4PTPN1FFAR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009133970-A1 | CRYSTALLINE COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-11-05 | — | — | WO | disclosed |
| EP-2074117-A2 | HETEROMONOCYCLIC COMPOUND AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2009-07-01 | — | — | EP | disclosed |
| WO-2008062905-A2 | HETEROMONOCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-05-29 | — | — | WO | disclosed |