Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | DRD4 | P21917 | 7/20 | 0.35 |
| ▸ | DRD2 | P14416 | 5/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.34 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.33 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.33 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HTR3A | P46098 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.32 |
| ▸ | PIM1 | P11309 | 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 | |
|---|---|---|---|---|
| SCHEMBL8910768 | 0.92 | DRD4 (0.39) | TSHRHTTDRD4DRD2ADRA1D | |
| SCHEMBL8910312 | 0.85 | DRD4 (0.41) | TSHRHTTDRD4DRD2ADRA1D | |
| SCHEMBL8231306 | 0.70 | CES2 (0.42) | TSHRDRD4DRD2ADRA1DADRA1A | |
| SCHEMBL8911392 | 0.69 | DRD4 (0.34) | DRD4CYP1A2CYP3A4HTR1ACYP2D6 | |
| SCHEMBL8910772 | 0.68 | DRD4 (0.37) | DRD4DRD2CXCR3ALDH1A1 | |
| SCHEMBL8910314 | 0.65 | DRD4 (0.41) | DRD4CXCR3ALDH1A1MAPTHPGD | |
| SCHEMBL10669758 | 0.64 | LSS (0.62) | SLC2A1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL30851239 | 0.63 | CXCR4 (0.62) | SLC2A1ALDH1A1 | |
| SCHEMBL14866037 | 0.60 | TP53 (0.58) | TSHRHTTDRD4DRD2NOD1 | |
| 1,2-Dichlorobenzene SCHEMBL28761398 | 0.60 | SIGMAR1 (0.53) | DRD2 |
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-5683998-A | ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, ANTIPAF AGENTS | TORAY INDUSTRIES, INC. (JP) | 1997-11-04 | — | — | US | disclosed |