Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CCR2 | P41597 | 2/20 | 0.33 |
| ▸ | ESR1 | P03372 | 2/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.30 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.30 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | CASP1 | P29466 | 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 | |
|---|---|---|---|---|
| SCHEMBL9848309 | 0.73 | MAOB (0.46) | ALDH1A1TDP1TSHR | |
| SCHEMBL24425967 | 0.73 | CYP2C19 (0.40) | ALDH1A1CYP2C19CCR2ESR1ESR2 | |
| SCHEMBL16186302 | 0.68 | CYP2C19 (0.34) | ALDH1A1CYP2C19CCR2ESR1ESR2 | |
| SCHEMBL9391068 | 0.64 | TDP1 (0.38) | ALDH1A1TDP1PRSS1PRSS2PRSS3 | |
| SCHEMBL9848315 | 0.64 | TP53 (0.39) | ALDH1A1TDP1TSHRLMNA | |
| SCHEMBL3684089 | 0.64 | ALOX15 (0.42) | ALDH1A1ESR1ESR2LMNACASP1 | |
| SCHEMBL3685814 | 0.64 | ALOX15 (0.42) | ALDH1A1ESR1ESR2LMNACASP1 | |
| SCHEMBL21387376 | 0.62 | ESR1 (0.69) | ALDH1A1CYP2C19CCR2ESR1ESR2 | |
| SCHEMBL26435127 | 0.62 | ESR1 (0.69) | ALDH1A1CYP2C19CCR2ESR1ESR2 | |
| SCHEMBL9848304 | 0.62 | MAOB (0.42) | — |
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-0438715-A2 | 1,1-Bicyclo-substituted fluorinated cyclopentanes and method for their production | BAYER AG (DE) | 1991-07-31 | — | — | EP | disclosed |