Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | HTR1A | P08908 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | CDYL | Q9Y232 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8074458 | 0.99 | CYP2D6 (0.41) | CYP2D6HTR1AHTR2AHRH3HTR2C | |
| SCHEMBL11549030 | 0.76 | GLA (0.48) | CYP2D6MAPTKDM4EPTGS1PTGS2 | |
| SCHEMBL8088049 | 0.74 | CYP2D6 (0.39) | CYP2D6MAPTKDM4EPTGS1PTGS2 | |
| SCHEMBL8038419 | 0.72 | HTR1A (0.43) | CYP2D6HTR1AHTR2AHRH3HTR2C | |
| Hydrochloric Acid SCHEMBL8086156 | 0.71 | HTR1A (0.42) | CYP2D6HTR1AHTR2AHRH3HTR2C | |
| SCHEMBL8721975 | 0.68 | CDYL (0.61) | CYP2D6HTR1AHTR2AHTR6KDM4E | |
| Hydrogen Sulfide SCHEMBL27761134 | 0.67 | HTR1A (0.49) | HTR1AHTR2AHRH3HTR2CHTR6 | |
| SCHEMBL11705274 | 0.63 | GLA (0.45) | CYP2D6MAPTKDM4E | |
| SCHEMBL11705784 | 0.63 | CYP1A2 (0.35) | CYP2D6MAPTKDM4ECYP1A2ALDH1A1 | |
| SCHEMBL11551571 | 0.63 | PDCD1 (0.35) | CYP2D6HTR6MAPTKDM4ECYP1A2 |
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-6063810-A | ENANTIOMORPHS | SYNTHELABO (FR) | 2000-05-16 | — | — | US | disclosed |