Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D | P28221 | 1/20 | 0.50 |
| ▸ | HTR1B | P28222 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
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 SCHEMBL28274951 | 0.99 | HTR1D (0.49) | HTR1DHTR1BCYP1A2CYP2D6CYP19A1 | |
| Hydrochloric Acid SCHEMBL31497691 | 0.97 | HTR1D (0.48) | HTR1DHTR1BCYP1A2CYP2D6CYP19A1 | |
| Hydrochloric Acid SCHEMBL31497690 | 0.97 | HTR1D (0.48) | HTR1DHTR1BCYP1A2CYP2D6CYP19A1 | |
| SCHEMBL25293971 | 0.94 | HTR1D (0.52) | HTR1DHTR1BCYP1A2CYP2D6DRD4 | |
| SCHEMBL9447081 | 0.88 | HTR1D (0.54) | HTR1DHTR1BCYP1A2CYP2D6CYP19A1 | |
| SCHEMBL19136051 | 0.86 | HTR1D (0.44) | HTR1DHTR1BCYP1A2CYP2D6CYP19A1 | |
| Hydrochloric Acid SCHEMBL31278738 | 0.83 | HTR1D (0.46) | HTR1DHTR1BCYP1A2CYP2D6DRD4 | |
| SCHEMBL9447197 | 0.82 | HTR1D (0.57) | HTR1DHTR1BCYP1A2CYP2D6DRD4 | |
| SCHEMBL16216134 | 0.79 | SMN1; SMN2 (0.43) | HTR1DHTR1BCYP1A2CYP2D6DRD4 | |
| SCHEMBL8579690 | 0.78 | TOP2A (0.35) | CYP1A2CYP2D6KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105163712-A | Translucent gel system | RHODIA OPERATIONS | 2015-12-16 | — | — | CN | disclosed |