Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.57 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.57 |
| ▸ | CFTR | P13569 | 1/20 | 0.39 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.36 |
| ▸ | CYP26B1 | Q9NR63 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | NHERF1 | O14745 | 1/20 | 0.34 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.34 |
| ▸ | RET | P07949 | 5/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 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 | |
|---|---|---|---|---|
| SCHEMBL5737070 | 0.90 | ROCK2 (0.58) | ROCK2ROCK1CFTRCYP26A1CYP26B1 | |
| SCHEMBL7396411 | 0.86 | ROCK2 (0.58) | ROCK2ROCK1TP53NPC1MAPT | |
| SCHEMBL7398675 | 0.85 | ROCK2 (0.64) | ROCK2ROCK1CFTRTP53NPC1 | |
| SCHEMBL7395940 | 0.82 | ROCK2 (0.61) | ROCK2ROCK1TP53NPC1MAPT | |
| SCHEMBL7369380 | 0.82 | ROCK2 (0.63) | ROCK2ROCK1TP53NPC1MAPT | |
| SCHEMBL7397319 | 0.82 | ROCK2 (0.68) | ROCK2ROCK1CFTRTP53NPC1 | |
| SCHEMBL7392079 | 0.80 | ROCK2 (0.63) | ROCK2ROCK1SMN1; SMN2ALDH1A1HTT | |
| SCHEMBL7384260 | 0.77 | ROCK2 (0.57) | ROCK2ROCK1CFTRTP53NAMPT | |
| SCHEMBL7399573 | 0.75 | ROCK2 (0.58) | ROCK2ROCK1NPC1MAPTRAB9A | |
| SCHEMBL7398250 | 0.75 | ROCK2 (0.55) | ROCK2ROCK1TP53NPC1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-6080873-A | Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands | NEUROGEN CORPORATION (US) | 2000-06-27 | — | — | US | disclosed |