Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.40 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.38 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.35 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.35 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.35 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.35 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7894165 | 0.79 | ABCC9 (0.41) | PDK1PDK2PDK3PDK4ABCC9 | |
| SCHEMBL8527319 | 0.70 | P2RX7 (0.39) | HTTNPSR1P2RX7PDK1PDK2 | |
| SCHEMBL13875916 | 0.69 | P2RX7 (0.46) | HTTNPSR1P2RX7PDK1PDK2 | |
| SCHEMBL4263948 | 0.69 | P2RX7 (0.45) | P2RX7PDK1PDK2PDK3PDK4 | |
| SCHEMBL7896906 | 0.69 | HTT (0.39) | HTTNPSR1P2RX7PDK1PDK2 | |
| SCHEMBL8621788 | 0.68 | ABCC9 (0.38) | HTTNPSR1P2RX7PDK1PDK2 | |
| SCHEMBL14107962 | 0.68 | CYP2A6 (0.47) | HTTNPSR1P2RX7PDK1PDK2 | |
| SCHEMBL13874238 | 0.67 | NR3C1 (0.46) | HTTNPSR1P2RX7PDK1PDK2 | |
| SCHEMBL534824 | 0.67 | NPSR1 (0.60) | HTTNPSR1P2RX7PDK1PDK2 | |
| SCHEMBL5110282 | 0.66 | HTT (0.50) | HTTNPSR1P2RX7PDK1PDK2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1151990-A1 | Substituted N-arylmethylamino derivatives of cyclobutene-3, 4-diones | AMERICAN HOME PRODUCTS CORPORATION (US) | 2001-11-07 | — | — | EP | disclosed |
| EP-0934257-A1 | SUBSTITUTED N-ARYLMETHYLAMINO DERIVATIVES OF CYCLOBUTENE-3,4-DIONES | AMERICAN HOME PRODUCTS CORPORATION (US) | 1999-08-11 | — | — | EP | disclosed |
| WO-1998002413-A1 | SUBSTITUTED N-ARYLMETHYLAMINO DERIVATIVES OF CYCLOBUTENE-3,4-DIONES | AMERICAN HOME PRODUCTS CORPORATION (US) | 1998-01-22 | — | — | WO | disclosed |