Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.93 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.93 |
| ▸ | THPO | P40225 | 2/20 | 0.93 |
| ▸ | MTOR | P42345 | 2/20 | 0.93 |
| ▸ | MEN1 | O00255 | 2/20 | 0.91 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.91 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.91 |
| ▸ | SCN1A | P35498 | 2/20 | 0.62 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.62 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.62 |
| ▸ | ABCB1 | P08183 | 4/20 | 0.57 |
| ▸ | ABCC1 | P33527 | 4/20 | 0.57 |
| ▸ | ABCG2 | Q9UNQ0 | 4/20 | 0.57 |
| ▸ | SLC29A1 | Q99808 | 4/20 | 0.56 |
| ▸ | CA12 | O43570 | 3/20 | 0.55 |
| ▸ | CA9 | Q16790 | 3/20 | 0.55 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL2457928 | 0.96 | CYP3A4 (1.00) | CYP3A4CYP2D6THPOMTORMEN1 | |
| SCHEMBL2173737 | 0.96 | CYP3A4 (1.00) | CYP3A4CYP2D6THPOMTORMEN1 | |
| SCHEMBL2454357 | 0.96 | CYP3A4 (1.00) | CYP3A4CYP2D6THPOMTORMEN1 | |
| Hydrochloric Acid SCHEMBL5682553 | 0.95 | KMT2A (1.00) | CYP3A4CYP2D6THPOMTORMEN1 | |
| Hydrochloric Acid SCHEMBL29361001 | 0.95 | KMT2A (1.00) | CYP3A4CYP2D6THPOMTORMEN1 | |
| SCHEMBL29759108 | 0.86 | CYP2D6 (0.80) | CYP3A4CYP2D6THPOMTORMEN1 | |
| Hydrochloric Acid SCHEMBL7883012 | 0.82 | MEN1 (0.77) | CYP3A4CYP2D6THPOMTORMEN1 | |
| SCHEMBL9680878 | 0.82 | CYP3A4 (0.73) | CYP3A4CYP2D6THPOMTORMEN1 | |
| SCHEMBL9681943 | 0.82 | CYP3A4 (0.73) | CYP3A4CYP2D6THPOMTORMEN1 | |
| SCHEMBL9680837 | 0.82 | CYP3A4 (0.73) | CYP3A4CYP2D6THPOMTORMEN1 |
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-0904078-A1 | COMPOSITION COMPRISING A Katp CHANNEL INHIBITOR FOR USE IN THE TREATMENT OF HEMORRHAGIC SHOCK | CHILDREN'S HOSPITAL MEDICAL CENTER (US) | 1999-03-31 | — | — | EP | disclosed |
| WO-1997041857-A1 | COMPOSITION COMPRISING A KATP CHANNEL INHIBITOR FOR USE IN THE TREATMENT OF HEMORRHAGIC SHOCK | CHILDREN'S HOSPITAL MEDICAL CENTER (US) | 1997-11-13 | — | — | WO | disclosed |