Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADH5 | P11766 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 5/20 | 0.40 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL245380 | 0.89 | ADH5 (0.64) | ADH5CYP2C19NPC1POLBMEN1 | |
| SCHEMBL244683 | 0.89 | ADH5 (0.67) | ADH5CYP2C19NPC1POLBMEN1 | |
| SCHEMBL244264 | 0.87 | ADH5 (0.54) | ADH5CYP2C19NPC1POLBMEN1 | |
| SCHEMBL247303 | 0.82 | ADH5 (0.69) | ADH5CYP2C19NPC1POLBMEN1 | |
| SCHEMBL244681 | 0.81 | ADH5 (0.66) | ADH5CYP2C19NPC1POLBMEN1 | |
| SCHEMBL242471 | 0.81 | ADH5 (0.68) | ADH5CYP2C19NPC1POLBMEN1 | |
| SCHEMBL1834591 | 0.79 | ADH5 (0.52) | ADH5CYP2C19POLBMEN1KMT2A | |
| SCHEMBL245660 | 0.79 | ADH5 (0.71) | ADH5CYP2C19NPC1POLBMEN1 | |
| SCHEMBL244176 | 0.77 | ADH5 (0.74) | ADH5CYP2C19NPC1POLBMEN1 | |
| SCHEMBL246524 | 0.76 | ADH5 (0.63) | ADH5CYP2C19NPC1POLBMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2318006-B1 | NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS | NIVALIS THERAPEUTICS INC (US) | 2016-10-12 | — | — | EP | claimed |