Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.65 |
| ▸ | HTR1A | P08908 | 1/20 | 0.58 |
| ▸ | HTR7 | P34969 | 1/20 | 0.58 |
| ▸ | JAK2 | O60674 | 2/20 | 0.55 |
| ▸ | JAK1 | P23458 | 2/20 | 0.55 |
| ▸ | TYK2 | P29597 | 2/20 | 0.55 |
| ▸ | JAK3 | P52333 | 2/20 | 0.55 |
| ▸ | CCR5 | P51681 | 1/20 | 0.51 |
| ▸ | DRD2 | P14416 | 8/20 | 0.50 |
| ▸ | DRD4 | P21917 | 7/20 | 0.50 |
| ▸ | DRD3 | P35462 | 7/20 | 0.50 |
| ▸ | HTR6 | P50406 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL11562263 | 0.88 | ACHE (0.54) | ACHEHTR1AHTR7CCR5DRD2 | |
| SCHEMBL11567764 | 0.86 | HTR1A (0.54) | ACHEHTR1AHTR7CCR5DRD2 | |
| SCHEMBL7968829 | 0.83 | ACHE (0.52) | ACHEHTR1AHTR7JAK2JAK1 | |
| SCHEMBL17262978 | 0.82 | ACVR1 (0.57) | ACHECCR5ALDH1A1ACVR1 | |
| SCHEMBL31462149 | 0.82 | ACVR1 (0.57) | ACHECCR5ALDH1A1ACVR1 | |
| SCHEMBL31462148 | 0.82 | ACVR1 (0.57) | ACHECCR5ALDH1A1ACVR1 | |
| SCHEMBL3132276 | 0.82 | DRD2 (0.67) | ACHEJAK2JAK1TYK2JAK3 | |
| SCHEMBL11567913 | 0.81 | ACHE (0.57) | ACHEHTR1AHTR7CCR5DRD2 | |
| SCHEMBL30169432 | 0.80 | ACVR1 (0.51) | ACHECCR5DRD2ALDH1A1ACVR1 | |
| SCHEMBL11562769 | 0.80 | CCR5 (0.47) | ACHEHTR1AHTR7JAK2JAK1 |
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 |
|---|---|---|---|---|---|---|---|
| JP-11349481-A | — | — | None | — | — | JP | disclosed |
| JP-H11349481-A | SIGMA RECEPTOR-BINDING AGENT | EISAI CO LTD | 1999-12-21 | — | — | JP | disclosed |
| US-4166117-A | HYPOTENSIVES | SCIENCE UNION ET CIE (FR) | 1979-08-28 | — | — | US | disclosed |