Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 2/20 | 0.33 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.32 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.32 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 2/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | KCNA5 | P22460 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10110050 | 0.75 | CCR2 (0.42) | CCR2AKR1B10AKR1C4AKR1C3AKR1C2 | |
| SCHEMBL10110060 | 0.68 | AKR1C1 (0.57) | CCR2AKR1B10AKR1C4AKR1C3AKR1C2 | |
| SCHEMBL24425967 | 0.59 | CYP2C19 (0.40) | CCR2AKR1B10AKR1C4AKR1C3AKR1C2 | |
| SCHEMBL11802262 | 0.59 | SLC6A4 (0.37) | CCR2ESR1ESR2CYP2C19 | |
| SCHEMBL22356413 | 0.59 | CYP2C19 (0.35) | CCR2ESR1ESR2CYP2C19OPRM1 | |
| SCHEMBL11802976 | 0.59 | SLC6A4 (0.37) | CCR2ESR1ESR2CYP2C19 | |
| SCHEMBL11802983 | 0.59 | SLC6A4 (0.37) | CCR2ESR1ESR2CYP2C19 | |
| SCHEMBL21387376 | 0.58 | ESR1 (0.69) | CCR2ESR1ESR2CYP2C19 | |
| SCHEMBL17740385 | 0.58 | RIOK2 (0.43) | AKR1C3AKR1C2ESR1ESR2CYP3A4 | |
| SCHEMBL24442990 | 0.58 | HSD11B1 (0.31) | HSD11B1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9550761-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-01-24 | — | — | US | disclosed |