Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | TLR4 | O00206 | 7/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11065341 | 0.89 | TLR4 (0.40) | ALDH1A1KDM4EMAPTCYP1A2HIF1A | |
| SCHEMBL11060648 | 0.80 | CYP1A2 (0.39) | ALDH1A1KDM4EMAPTCYP1A2HIF1A | |
| SCHEMBL989622 | 0.79 | — | — | |
| SCHEMBL3628762 | 0.79 | — | — | |
| SCHEMBL5896745 | 0.75 | CYP1A2 (0.38) | ALDH1A1KDM4EMAPTCYP1A2HIF1A | |
| SCHEMBL13882832 | 0.75 | CYP1A2 (0.46) | ALDH1A1CYP1A2HIF1ABRD4CYP2C9 | |
| SCHEMBL857295 | 0.75 | TLR4 (0.48) | ALDH1A1KDM4EMAPTTLR4BRD4 | |
| SCHEMBL11065308 | 0.72 | BRD4 (0.34) | ALDH1A1CYP1A2HIF1ABRD4GAA | |
| SCHEMBL1651765 | 0.71 | TLR4 (0.40) | CYP1A2HIF1ATLR4BRD4 | |
| SCHEMBL3974812 | 0.71 | CYP1A2 (0.43) | ALDH1A1CYP1A2HIF1ATLR4BRD4 |
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 |
|---|---|---|---|---|---|---|---|
| US-4432378-A | ORGANOLEPTIC; TOBACCO; FOODS; DETERGENTS; COSMETICS | FRITZSCHE, DODGE & OLCOTT, INC. (US) | 1984-02-21 | — | — | US | disclosed |
| US-4326996-A | FOR PERFUMES | FRITZSCHE DODGE & OLCOTT INC. (US) | 1982-04-27 | — | — | US | disclosed |
| US-4281204-A | ALKYLATION, DECARBOXYLATION TO CYCLIZE | FRITZSCHE DODGE & OLCOTT INC. (US) | 1981-07-28 | — | — | US | disclosed |