Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 5/20 | 0.37 |
| ▸ | CES1 | P23141 | 5/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | TLR2 | O60603 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | DGKA | P23743 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.31 |
| ▸ | S1PR4 | O95977 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6578152 | 0.93 | CES2 (0.41) | CES2CES1ALDH1A1MAPTTHRB | |
| SCHEMBL22717119 | 0.84 | DGKA (0.44) | CYP1A2CES2CES1ALDH1A1MAPT | |
| SCHEMBL32679584 | 0.82 | CES2 (0.44) | CES2CES1CA12CA14CA2 | |
| SCHEMBL17085777 | 0.82 | DGKA (0.47) | CES2CES1ALDH1A1MAPTTHRB | |
| SCHEMBL29606730 | 0.82 | DGKA (0.43) | CYP1A2CES2CES1ALDH1A1MAPT | |
| SCHEMBL3634120 | 0.82 | DGKA (0.47) | CES2CES1ALDH1A1MAPTTHRB | |
| SCHEMBL5156066 | 0.82 | DGKA (0.47) | CES2CES1ALDH1A1MAPTTHRB | |
| SCHEMBL31051576 | 0.82 | DGKA (0.47) | CES2CES1ALDH1A1MAPTTHRB | |
| SCHEMBL15874693 | 0.82 | DGKA (0.47) | CES2CES1ALDH1A1MAPTTHRB | |
| SCHEMBL5393249 | 0.82 | DGKA (0.47) | CES2CES1ALDH1A1MAPTTHRB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0944619-A1 | NOVEL INTEGRIN RECEPTOR ANTAGONISTS | Du Pont Pharmaceuticals Company (US) | 1999-09-29 | — | — | EP | claimed |
| WO-1998023608-A1 | NOVEL INTEGRIN RECEPTOR ANTAGONISTS | DUPONT PHARMACEUTICALS COMPANY (US) | 1998-06-04 | — | — | WO | claimed |