Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.34 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 4/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | HTR5A | P47898 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12647726 | 0.94 | CYP11B1 (0.39) | ESR1ESR2CYP11B1CYP11B2CYP1A1 | |
| SCHEMBL26259879 | 0.88 | CYP11B1 (0.38) | ESR1ESR2CYP11B1CYP11B2CYP1A1 | |
| SCHEMBL4526053 | 0.87 | CYP11B1 (0.50) | ESR1ESR2CYP11B1CYP11B2CYP1A1 | |
| SCHEMBL20054187 | 0.85 | AKT1 (0.30) | — | |
| SCHEMBL17948025 | 0.84 | CYP11B1 (0.56) | CYP11B1CYP11B2CYP1A2SMN1; SMN2CYP2C9 | |
| SCHEMBL12647439 | 0.84 | CYP11B1 (0.33) | CYP11B1CYP11B2CYP1A1CYP1B1CYP1A2 | |
| SCHEMBL17948012 | 0.84 | CYP11B1 (0.42) | CYP11B1CYP11B2CYP1A1CYP1B1CYP1A2 | |
| SCHEMBL12647819 | 0.82 | CYP11B1 (0.62) | CYP11B1CYP11B2CYP1A2SMN1; SMN2CYP2C9 | |
| SCHEMBL31546885 | 0.81 | NPC1 (0.53) | CYP11B1CYP11B2CYP1A2NPC1RAB9A | |
| SCHEMBL12647870 | 0.80 | CYP11B1 (0.64) | CYP11B1CYP11B2CYP1A2SMN1; SMN2CYP2C9 |
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-3019196-B1 | COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-06-06 | — | — | EP | disclosed |
| EP-2802326-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-04-18 | — | — | EP | disclosed |