Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | PTGES | O14684 | 1/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.38 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.37 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27946473 | 0.83 | CYP1A2 (0.42) | ALDH1A1TDP1CYP1A2CYP3A4MEN1 | |
| SCHEMBL1372880 | 0.81 | GRM2 (0.39) | ALDH1A1TDP1CYP1A2CYP3A4MEN1 | |
| SCHEMBL26337264 | 0.77 | TSHR (0.45) | ALDH1A1TDP1CYP1A2CYP3A4HPGD | |
| SCHEMBL16148932 | 0.77 | ALOX5AP (0.43) | ESR2PTGESGABRG2GABRB3GABRA3 | |
| SCHEMBL6131063 | 0.76 | ESR2 (0.47) | ALDH1A1TDP1CYP1A2CYP3A4MEN1 | |
| SCHEMBL27928925 | 0.76 | NPC1 (0.53) | ALDH1A1TDP1CYP1A2CYP3A4HPGD | |
| SCHEMBL4052784 | 0.74 | ESR2 (0.59) | ESR2GABRG2GABRB3GABRA3GABRA5 | |
| SCHEMBL23559755 | 0.73 | OPRL1 (0.39) | ALDH1A1CYP1A2CYP3A4HPGDESR2 | |
| SCHEMBL19105552 | 0.73 | ALDH1A1 (0.42) | ALDH1A1CYP1A2CYP3A4HPGDESR2 | |
| SCHEMBL20742196 | 0.73 | GABRA1 (0.42) | ALDH1A1TDP1CYP1A2CYP3A4MEN1 |
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-5498776-A | Substituted pyrrolopyrimidines and pyridopyrimidines useful as angiotensin II antagonists | AMERICAN HOME PRODUCTS CORPORATION (US) | 1996-03-12 | — | — | US | disclosed |