Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 6/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 5/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.32 |
| ▸ | MGAM | O43451 | 2/20 | 0.31 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13631329 | 1.00 | ESR1 (0.33) | ESR1ESR2CYP3A4CYP2C9CHRM3 | |
| SCHEMBL14948679 | 0.88 | AXL (0.33) | CHRM3CHRM2CHRM1RIPK1 | |
| SCHEMBL14948702 | 0.86 | GBA1 (0.44) | SLC18A3CYP2D6 | |
| SCHEMBL14852948 | 0.86 | F2 (0.33) | CHRM3RIPK1 | |
| SCHEMBL12067807 | 0.86 | F2 (0.33) | CHRM3RIPK1 | |
| SCHEMBL10208829 | 0.86 | OPRK1 (0.36) | — | |
| SCHEMBL13631314 | 0.84 | RIPK1 (0.30) | RIPK1 | |
| SCHEMBL13631305 | 0.84 | DGAT1 (0.36) | CYP3A4CHRM2 | |
| SCHEMBL17086373 | 0.82 | RIPK1 (0.32) | RIPK1 | |
| SCHEMBL13631309 | 0.82 | HSD11B1 (0.36) | CHRM3CHRM2CHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015135091-A1 | PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-09-17 | — | — | WO | disclosed |
| WO-2015138220-A1 | PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-09-17 | — | — | WO | disclosed |