Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTBP2 | P56545 | 3/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.35 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.35 |
| ▸ | HTR3B | O95264 | 1/20 | 0.35 |
| ▸ | HTR3A | P46098 | 1/20 | 0.35 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.35 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4191880 | 0.85 | CTBP2 (0.44) | CTBP2PIK3CACES2CES1AKR1B1 | |
| SCHEMBL14228386 | 0.82 | AKR1B1 (0.58) | AKR1B1ALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL1149255 | 0.80 | TAAR1 (0.47) | CES2CES1MEN1KMT2A | |
| SCHEMBL13647128 | 0.80 | ALDH1A1 (0.39) | CTBP2CES2CES1AKR1B1ALDH1A1 | |
| Water SCHEMBL27932850 | 0.80 | AKR1B1 (0.56) | AKR1B1ALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL23276465 | 0.78 | CTBP2 (0.56) | CTBP2ALDH1A1KMT2AMAPT | |
| SCHEMBL1350536 | 0.78 | CTBP2 (0.61) | CTBP2PIK3CAHTR3EHTR3BHTR3A | |
| SCHEMBL10386674 | 0.76 | CYP1A2 (0.46) | CTBP2 | |
| SCHEMBL18412078 | 0.76 | ALDH1A1 (0.46) | CTBP2ALDH1A1MEN1KMT2A | |
| SCHEMBL726784 | 0.76 | CTBP2 (0.57) | CTBP2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2208727-A1 | Diaryl ethers as opioid receptor antagonist | Eli Lilly & Company (US) | 2010-07-21 | — | — | EP | disclosed |