Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.30 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.30 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.30 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.30 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5897591 | 0.81 | CYP1A2 (0.39) | CYP1A2HIF1AALDH1A1BRD4POLB | |
| SCHEMBL1874741 | 0.81 | CYP1A2 (0.39) | CYP1A2HIF1AALDH1A1BRD4POLB | |
| SCHEMBL9730177 | 0.74 | ALDH1A1 (0.46) | CYP1A2HIF1AALDH1A1BRD4SMN1; SMN2 | |
| SCHEMBL16512764 | 0.74 | CYP1A2 (0.36) | CYP1A2HIF1AALDH1A1BRD4CHRNB2 | |
| SCHEMBL9636452 | 0.74 | ALDH1A1 (0.40) | CYP1A2HIF1AALDH1A1BRD4CHRNB2 | |
| SCHEMBL9729462 | 0.74 | ALDH1A1 (0.40) | CYP1A2HIF1AALDH1A1BRD4CHRNB2 | |
| SCHEMBL16512765 | 0.72 | ALDH1A1 (0.34) | CYP1A2HIF1AALDH1A1BRD4 | |
| SCHEMBL5897138 | 0.70 | CYP1A2 (0.38) | CYP1A2HIF1AALDH1A1POLBSMN1; SMN2 | |
| SCHEMBL16499308 | 0.70 | ALDH1A1 (0.41) | CYP1A2HIF1AALDH1A1BRD4SMN1; SMN2 | |
| SCHEMBL16498544 | 0.70 | ALDH1A1 (0.41) | CYP1A2HIF1AALDH1A1BRD4SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1398310-A1 | Process for the production of optically active amino alcohols | Takasago International Corporation (JP) | 2004-03-17 | — | — | EP | disclosed |