Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 2/20 | 0.39 |
| ▸ | MME | P08473 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | SMYD2 | Q9NRG4 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.33 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 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 | |
|---|---|---|---|---|
| SCHEMBL8629904 | 1.00 | ACE (0.39) | ACEMMESMN1; SMN2CYP3A4HTT | |
| SCHEMBL6633064 | 0.89 | CYP3A4 (0.35) | SMN1; SMN2CYP3A4HTTSMYD2ALDH1A1 | |
| SCHEMBL6636609 | 0.89 | CYP3A4 (0.35) | SMN1; SMN2CYP3A4HTTSMYD2ALDH1A1 | |
| SCHEMBL14138403 | 0.86 | SMYD2 (0.36) | SMN1; SMN2CYP3A4HTTCYP2C19HIF1A | |
| Hydrochloric Acid SCHEMBL4708235 | 0.85 | APAF1 (0.37) | SMN1; SMN2CYP3A4HTTCYP2C19HIF1A | |
| SCHEMBL451543 | 0.85 | APAF1 (0.37) | SMN1; SMN2CYP3A4HTTCYP2C19HIF1A | |
| SCHEMBL4706102 | 0.85 | APAF1 (0.37) | SMN1; SMN2CYP3A4HTTCYP2C19HIF1A | |
| SCHEMBL4706098 | 0.85 | APAF1 (0.37) | SMN1; SMN2CYP3A4HTTCYP2C19HIF1A | |
| Hydrochloric Acid SCHEMBL4708232 | 0.85 | APAF1 (0.37) | SMN1; SMN2CYP3A4HTTCYP2C19HIF1A | |
| SCHEMBL5685150 | 0.84 | ESRRB (0.39) | SMN1; SMN2CYP3A4HTTCYP2C19SMYD2 |
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-5849749-A | 6-(hydroxymethyl-ethyl)pyridines | BAYER AKTIENGESELLSCHAFT (DE) | 1998-12-15 | — | — | US | disclosed |