Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 3/20 | 0.36 |
| ▸ | ANPEP | P15144 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL9636452 | 1.00 | ALDH1A1 (0.40) | ALDH1A1CYP1A2HIF1ABRD4MMP2 | |
| SCHEMBL9730177 | 0.82 | ALDH1A1 (0.46) | ALDH1A1CYP1A2HIF1ABRD4MMP2 | |
| SCHEMBL9637776 | 0.81 | ALDH1A1 (0.43) | ALDH1A1KMT2AHTTKDM4ETSHR | |
| SCHEMBL1874741 | 0.79 | CYP1A2 (0.39) | ALDH1A1CYP1A2HIF1ABRD4MMP2 | |
| SCHEMBL5897591 | 0.79 | CYP1A2 (0.39) | ALDH1A1CYP1A2HIF1ABRD4HTT | |
| SCHEMBL16512558 | 0.77 | ALDH1A1 (0.41) | ALDH1A1CYP1A2HIF1ABRD4MMP2 | |
| SCHEMBL16512766 | 0.77 | ALDH1A1 (0.41) | ALDH1A1CYP1A2HIF1ABRD4MMP2 | |
| SCHEMBL16498819 | 0.77 | ALDH1A1 (0.41) | ALDH1A1CYP1A2HIF1ABRD4MMP2 | |
| SCHEMBL16499308 | 0.77 | ALDH1A1 (0.41) | ALDH1A1CYP1A2HIF1ABRD4MMP2 | |
| SCHEMBL16498544 | 0.77 | ALDH1A1 (0.41) | ALDH1A1CYP1A2HIF1ABRD4MMP2 |
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-5102793-A | STEREOSPECIFIC KETO REDUCTION OF BICYCLOOCTANDIONE-CARBOXYLIC ACID ESTERS BY MICROORGANISMS | SCHERING AKTIENGESELLSCHAFT (DE) | 1992-04-07 | — | — | US | disclosed |