Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 3/20 | 0.44 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.40 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.40 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.39 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.39 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.39 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.36 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.36 |
| ▸ | PRKACA | P17612 | 2/20 | 0.36 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.36 |
| ▸ | PAK1 | Q13153 | 2/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.36 |
| ▸ | PRKD2 | Q9BZL6 | 2/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4261013 | 0.89 | P2RX7 (0.43) | P2RX7PDK1PDK2PDK3PDK4 | |
| SCHEMBL4263948 | 0.88 | P2RX7 (0.45) | P2RX7PDK1PDK2PDK3PDK4 | |
| SCHEMBL7601302 | 0.85 | ROCK2 (0.46) | P2RX7ALDH1A1ROCK2CHEK2PRKACA | |
| SCHEMBL7894240 | 0.80 | LOXL2 (0.45) | ABCC9ABCC8KCNJ11KCNJ8EPHX2 | |
| SCHEMBL7895591 | 0.79 | ABCC9 (0.60) | P2RX7PDK1PDK2PDK3PDK4 | |
| SCHEMBL7895113 | 0.79 | ABCC9 (0.60) | P2RX7PDK1PDK2PDK3PDK4 | |
| SCHEMBL7894099 | 0.77 | ABCC9 (0.50) | P2RX7PDK1PDK2PDK3PDK4 | |
| SCHEMBL8622441 | 0.76 | PDK1 (0.38) | P2RX7PDK1PDK2PDK3PDK4 | |
| SCHEMBL8623338 | 0.76 | ABCC9 (0.39) | P2RX7PDK1PDK2PDK3PDK4 | |
| SCHEMBL7895223 | 0.74 | ABCC9 (0.51) | P2RX7ABCC9ABCC8KCNJ11KCNJ8 |
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 4 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 | claimed |
| US-5780505-A | ADMINISTERING AS SMOOTH MUSCLE RELAXANT | AMERICAN HOME PRODUCTS CORPORATION (US) | 1998-07-14 | — | — | US | claimed |
| EP-1151990-A1 | Substituted N-arylmethylamino derivatives of cyclobutene-3, 4-diones | AMERICAN HOME PRODUCTS CORPORATION (US) | 2001-11-07 | — | — | EP | disclosed |
| US-5780505-A | ADMINISTERING AS SMOOTH MUSCLE RELAXANT | AMERICAN HOME PRODUCTS CORPORATION (US) | 1998-07-14 | — | — | US | disclosed |