Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | NPY5R | Q15761 | 7/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | CNR1 | P21554 | 2/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2139445 | 1.00 | ALDH1A1 (0.53) | ALDH1A1NPY5RL3MBTL1HTTPKM | |
| SCHEMBL7973349 | 0.82 | NPY5R (0.63) | ALDH1A1NPY5RL3MBTL1HTTPKM | |
| SCHEMBL7973031 | 0.79 | HDAC3 (0.64) | ALDH1A1NPY5RHTTPKMLMNA | |
| SCHEMBL7960188 | 0.77 | ALDH1A1 (0.56) | ALDH1A1NPY5RHTTPKMMAPT | |
| SCHEMBL1118803 | 0.73 | EPHX2 (0.53) | ALDH1A1CNR1THRBMAPTCNR2 | |
| SCHEMBL1118806 | 0.73 | EPHX2 (0.53) | ALDH1A1CNR1THRBMAPTCNR2 | |
| SCHEMBL7971400 | 0.71 | NPY5R (0.72) | ALDH1A1NPY5RMEN1KMT2A | |
| SCHEMBL7960086 | 0.71 | NPY5R (0.56) | ALDH1A1NPY5RMAPTHPGD | |
| SCHEMBL441271 | 0.69 | SMN1; SMN2 (0.53) | ALDH1A1KMT2A | |
| SCHEMBL441272 | 0.69 | SMN1; SMN2 (0.53) | ALDH1A1KMT2A |
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-20110060037-A1 | USE OF NPY Y5 RECEPTOR ANTAGONISTS FOR THE PREVENTION OF PSYCHO-STIMULANT AND OPIOID ABUSE | UNIVERSITY OF COPENHAGEN (DK) | 2011-03-10 | — | — | US | disclosed |