Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 2/20 | 0.56 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.50 |
| ▸ | PARP1 | P09874 | 1/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.50 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.49 |
| ▸ | IKBKB | O14920 | 1/20 | 0.49 |
| ▸ | CDC7 | O00311 | 2/20 | 0.48 |
| ▸ | DCLRE1B | Q9H816 | 1/20 | 0.48 |
| ▸ | HPGDS | O60760 | 1/20 | 0.48 |
| ▸ | ICMT | O60725 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.44 |
| ▸ | PIM1 | P11309 | 1/20 | 0.44 |
| ▸ | CDK2 | P24941 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.44 |
| ▸ | DPP4 | P27487 | 1/20 | 0.44 |
| ▸ | RORC | P51449 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL15555830 | 0.86 | IKBKB (0.66) | IKBKB | |
| SCHEMBL29363677 | 0.84 | DCLRE1B (0.60) | ESR2DCLRE1B | |
| SCHEMBL2160051 | 0.84 | DCLRE1B (0.60) | ESR2DCLRE1B | |
| SCHEMBL14783967 | 0.83 | ESR2 (0.50) | MAP4K4TAAR1ESR2DCLRE1BCES2 | |
| SCHEMBL29537903 | 0.79 | CES2 (0.68) | PARP1IKBKBCES2CES1 | |
| SCHEMBL366058 | 0.79 | CES2 (0.68) | PARP1IKBKBCES2CES1 | |
| SCHEMBL29188757 | 0.79 | SLC6A4 (0.49) | TAAR1ESR2DCLRE1BGSK3B | |
| SCHEMBL16245147 | 0.79 | DCLRE1B (0.48) | MAP4K4TAAR1ESR2DCLRE1BICMT | |
| SCHEMBL15547657 | 0.79 | CHEK2 (0.67) | MAP4K4TAAR1PARP1ESR2CHEK2 | |
| SCHEMBL27940776 | 0.79 | PARP1 (0.53) | MAP4K4TAAR1PARP1ESR2CHEK2 |
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-2011094231-A1 | THERAPEUTIC AGENTS FOR TREATMENT OF OCULAR HYPERTENSION | ALLERGAN, INC. (US) | 2011-08-04 | — | — | WO | disclosed |