Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.33 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.32 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11523600 | 0.75 | CYP11B1 (0.38) | KCNH2CYP3A4CYP19A1KCNN4NPSR1 | |
| SCHEMBL27815929 | 0.70 | GRN (0.37) | ALDH1A1KCNN4CYP11B1CYP11B2CYP1A2 | |
| SCHEMBL28999271 | 0.68 | CYP11B1 (0.38) | KCNH2ALDH1A1CYP3A4CYP19A1KCNN4 | |
| SCHEMBL10236348 | 0.65 | CYP11B1 (0.38) | KCNH2ALDH1A1CYP3A4CYP19A1KCNN4 | |
| SCHEMBL486678 | 0.65 | ALDH1A1 (0.63) | ALDH1A1CYP3A4HSD17B10CYP2D6KMT2A | |
| SCHEMBL7755869 | 0.65 | ALDH1A1 (0.43) | ALDH1A1CYP3A4CYP19A1HSD17B10MEN1 | |
| SCHEMBL7752548 | 0.65 | ALDH1A1 (0.43) | ALDH1A1CYP3A4CYP19A1HSD17B10MEN1 | |
| SCHEMBL6923638 | 0.64 | POLB (0.47) | KCNH2ALDH1A1CYP3A4CYP19A1KCNN4 | |
| SCHEMBL20360982 | 0.64 | KCNN4 (0.44) | KCNH2ALDH1A1CYP3A4CYP19A1KCNN4 | |
| SCHEMBL6720540 | 0.64 | ALDH1A1 (0.35) | ALDH1A1HSD17B10KCNN4NPSR1CYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4157331-A | SEDATIVES, TRANQUILIZERS, ANTICONVULSANTS, MUSCLE RELAXANTS | HOFFMANN-LA ROCHE INC. (US) | 1979-06-05 | — | — | US | disclosed |
| US-4153799-A | ANXIOLYTICS, SEDATIVES, ANTICONVULSANTS, MUSCLE RELAXANTS, PYRAZOLE INTERMEDIATES | HOFFMANN-LA ROCHE INC. (US) | 1979-05-08 | — | — | US | disclosed |
| US-4130716-A | ANXIOLYTICS, SEDATIVE, MUSCLE RELAXANT, ANTICONVULSANT | HOFFMANN-LA ROCHE INC. (US) | 1978-12-19 | — | — | US | disclosed |