Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCC9 | O60706 | 1/20 | 0.41 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.41 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.41 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.41 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.35 |
| ▸ | IDH1 | O75874 | 4/20 | 0.34 |
| ▸ | PDE5A | O76074 | 3/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.32 |
| ▸ | PRKACA | P17612 | 1/20 | 0.32 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.32 |
| ▸ | GSK3A | P49840 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8414608 | 0.91 | ABCC9 (0.36) | ABCC9ABCC8KCNJ11KCNJ8TRPV4 | |
| SCHEMBL7895099 | 0.82 | LOXL2 (0.46) | POLBGAAMAPTPRKACARPS6KB1 | |
| SCHEMBL4407734 | 0.81 | ABCC9 (0.59) | ABCC9ABCC8KCNJ11KCNJ8TRPV4 | |
| SCHEMBL7894091 | 0.81 | GAA (0.40) | POLBGAAMAPT | |
| SCHEMBL7887121 | 0.80 | ABCC9 (0.43) | ABCC9ABCC8KCNJ11KCNJ8POLB | |
| SCHEMBL7895223 | 0.80 | ABCC9 (0.51) | ABCC9ABCC8KCNJ11KCNJ8TRPV4 | |
| SCHEMBL8621153 | 0.80 | ABCC9 (0.54) | ABCC9ABCC8KCNJ11KCNJ8KDM4C | |
| SCHEMBL7894210 | 0.78 | P2RX7 (0.41) | ABCC9ABCC8KCNJ11KCNJ8IDH1 | |
| SCHEMBL7894007 | 0.77 | POLB (0.37) | POLBGAAMAPTIDH1PDE5A | |
| SCHEMBL7887074 | 0.76 | ABCC9 (0.71) | ABCC9ABCC8KCNJ11KCNJ8RPS6KB1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |