Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.31 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 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 | |
|---|---|---|---|---|
| SCHEMBL11062852 | 0.89 | TSHR (0.34) | CYP1A2HIF1AALDH1A1LMNA | |
| SCHEMBL11069510 | 0.80 | CYP1A2 (0.35) | BRD4CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL11059934 | 0.79 | TSHR (0.33) | BRD4CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL11055929 | 0.75 | BRD4 (0.33) | BRD4CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL11062454 | 0.75 | CYP1A2 (0.35) | BRD4CYP1A2HIF1AALDH1A1 | |
| SCHEMBL11061482 | 0.74 | TSHR (0.33) | BRD4CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL11059896 | 0.72 | ALDH1A1 (0.36) | BRD4CYP1A2HIF1AALDH1A1GAA | |
| SCHEMBL5896869 | 0.71 | ALDH1A1 (0.39) | BRD4CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL11062133 | 0.69 | ALDH1A1 (0.34) | BRD4CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL11061512 | 0.69 | ALDH1A1 (0.32) | CYP1A2HIF1AALDH1A1LMNA |
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 |