Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.39 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 2/20 | 0.38 |
| ▸ | IKBKB | O14920 | 1/20 | 0.38 |
| ▸ | CHUK | O15111 | 1/20 | 0.38 |
| ▸ | PDE2A | O00408 | 1/20 | 0.38 |
| ▸ | ICMT | O60725 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.37 |
| ▸ | STK10 | O94804 | 1/20 | 0.37 |
| ▸ | SLK | Q9H2G2 | 1/20 | 0.37 |
| ▸ | XDH | P47989 | 1/20 | 0.37 |
| ▸ | MET | P08581 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17979507 | 0.86 | PGR (0.39) | KCNA3 | |
| SCHEMBL5862985 | 0.72 | MAOB (0.51) | XDHPPARG | |
| SCHEMBL17979311 | 0.72 | KCNA3 (0.46) | KCNA3ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL13958755 | 0.65 | TAAR1 (0.50) | ICMTPARP1PARP3 | |
| SCHEMBL20552139 | 0.65 | TBXAS1 (0.55) | ICMTPPARG | |
| SCHEMBL7089763 | 0.64 | PGR (0.50) | BRD4IKBKBCHUKPARP1XDH | |
| SCHEMBL1171578 | 0.64 | GABRG2 (0.66) | — | |
| SCHEMBL12879202 | 0.64 | CYP11B1 (0.57) | ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL5297574 | 0.64 | MAOB (0.66) | KCNA3ALDH1A1 | |
| SCHEMBL688911 | 0.63 | ALDH1A1 (0.57) | PTGDR2ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016130652-A1 | NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 3 | VANDERBILT UNIVERSITY (US) | 2016-08-18 | — | — | WO | claimed |
| WO-2016130652-A1 | NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 3 | VANDERBILT UNIVERSITY (US) | 2016-08-18 | — | — | WO | disclosed |