Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.30 |
| ▸ | CYP17A1 | P05093 | 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 | |
|---|---|---|---|---|
| SCHEMBL14484242 | 1.00 | ALDH1A1 (0.35) | ALDH1A1SIGMAR1CNR2TDP1CYP19A1 | |
| SCHEMBL14484269 | 1.00 | ALDH1A1 (0.35) | ALDH1A1SIGMAR1CNR2TDP1CYP19A1 | |
| SCHEMBL14497140 | 0.78 | CNR2 (0.32) | ALDH1A1SIGMAR1CNR2 | |
| SCHEMBL13069331 | 0.76 | ALDH1A1 (0.30) | ALDH1A1 | |
| SCHEMBL14484240 | 0.75 | CNR2 (0.33) | SIGMAR1CNR2 | |
| SCHEMBL14484234 | 0.75 | CNR2 (0.33) | SIGMAR1CNR2 | |
| SCHEMBL13028776 | 0.72 | — | — | |
| SCHEMBL713440 | 0.71 | ALDH1A1 (0.38) | ALDH1A1TDP1 | |
| SCHEMBL11612050 | 0.71 | SIGMAR1 (0.42) | ALDH1A1SIGMAR1TDP1CYP19A1CYP17A1 | |
| SCHEMBL6939096 | 0.70 | TDP1 (0.38) | ALDH1A1SIGMAR1TDP1CYP19A1CYP17A1 |
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-7235696-B2 | can be prepared in an efficient manner and their electronic and steric properties are variable to a wide degree starting from readily available reactants; exhibit good performance in asymmetric syntheses | LANXESS DEUTSCHLAND GMBH (DE) | 2007-06-26 | — | — | US | disclosed |