Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | SLC6A9 | P48067 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.38 |
| ▸ | GPX4 | P36969 | 2/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 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 | |
|---|---|---|---|---|
| SCHEMBL5193306 | 0.88 | POLB (0.48) | SLC6A9CYP3A4GPX4POLB | |
| SCHEMBL5193461 | 0.82 | HIF1A (0.40) | ALDH1A1POLB | |
| SCHEMBL5194017 | 0.75 | ALDH1A1 (0.41) | ALDH1A1HPGDCYP3A4POLB | |
| SCHEMBL5193553 | 0.69 | PDGFRB (0.45) | — | |
| SCHEMBL5193932 | 0.68 | TSHR (0.43) | ALDH1A1HSD11B1 | |
| SCHEMBL11623725 | 0.68 | CYP3A4 (0.53) | ALDH1A1HPGDCYP3A4CYP3A5GPX4 | |
| SCHEMBL5192435 | 0.68 | MCHR1 (0.44) | ALDH1A1POLBOPRK1 | |
| SCHEMBL5213600 | 0.68 | ALDH1A1 (0.51) | ALDH1A1POLB | |
| SCHEMBL10266852 | 0.68 | ALDH1A1 (0.48) | ALDH1A1HPGDSLC6A9CYP3A4CYP3A5 | |
| SCHEMBL2738699 | 0.68 | ALDH1A1 (0.48) | ALDH1A1HPGDSLC6A9CYP3A4CYP3A5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0968206-B8 | N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS | BERLEX INC (US) | 2007-01-24 | — | — | EP | disclosed |
| EP-0968206-A1 | N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS | BERLEX LABORATORIES, INC. (US) | 2000-01-05 | — | — | EP | disclosed |
| WO-1998037079-A1 | N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS | BERLEX LABORATORIES, INC. (US) | 1998-08-27 | — | — | WO | disclosed |