Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | GPR52 | Q9Y2T5 | 9/20 | 0.46 |
| ▸ | NAMPT | P43490 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PAM | P19021 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9271038 | 1.00 | ALDH1A1 (0.46) | ALDH1A1CYP2A6GPR52NAMPTLTA4H | |
| SCHEMBL108688 | 0.86 | GPR52 (0.48) | GPR52PAM | |
| SCHEMBL108687 | 0.86 | GPR52 (0.48) | GPR52PAM | |
| SCHEMBL30742787 | 0.86 | GPR52 (0.48) | GPR52PAM | |
| SCHEMBL154598 | 0.81 | TAAR1 (0.53) | GPR52 | |
| SCHEMBL31197196 | 0.81 | GPR52 (0.55) | ALDH1A1GPR52NAMPTKCNA3 | |
| SCHEMBL31197204 | 0.81 | NFE2L2 (0.55) | ALDH1A1GPR52NAMPTKMT2A | |
| SCHEMBL154597 | 0.81 | TAAR1 (0.53) | GPR52 | |
| SCHEMBL9268265 | 0.81 | GPR52 (0.54) | GPR52NAMPT | |
| SCHEMBL5020594 | 0.81 | GPR52 (0.54) | GPR52NAMPT |
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-5464865-A | Enzyme inhibitors as antiinflammatory agents | ORTHO PHARMACEUTICAL CORPORATION (US) | 1995-11-07 | — | — | US | disclosed |