Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | ESR1 | P03372 | 6/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | APLNR | P35414 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Glycerin SCHEMBL9652881 | 1.00 | LMNA (0.53) | LMNAALDH1A1ESR1ESR2CYP3A4 | |
| SCHEMBL297828 | 0.80 | ESR2 (0.46) | ESR1ESR2CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL4610 | 0.80 | — | — | |
| SCHEMBL2267415 | 0.80 | ESR2 (0.46) | ESR1ESR2CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL130642 | 0.80 | ESR2 (0.46) | ESR1ESR2CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL27912 | 0.80 | ESR2 (0.46) | ESR1ESR2CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL1316560 | 0.80 | ESR2 (0.46) | ESR1ESR2CYP3A4CYP2C9CYP2D6 | |
| Propylene Glycol SCHEMBL28101394 | 0.80 | TDP1 (0.56) | ALDH1A1ESR1ESR2CYP3A4CYP2C9 | |
| Glycerin SCHEMBL3893237 | 0.79 | LMNA (0.43) | LMNAALDH1A1ESR1ESR2CYP3A4 | |
| Glycerin SCHEMBL3643722 | 0.78 | LMNA (0.47) | LMNAALDH1A1ESR2THRBMAPT |
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-0475003-B1 | Blocked (cyclo)aliphatic polyisocyanates and process for their preparation | HUELS CHEMISCHE WERKE AG (DE) | 1998-11-04 | — | — | EP | disclosed |