Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC9A3 | P48764 | 6/20 | 0.41 |
| ▸ | DRD2 | P14416 | 3/20 | 0.41 |
| ▸ | HRH1 | P35367 | 3/20 | 0.41 |
| ▸ | DRD4 | P21917 | 2/20 | 0.41 |
| ▸ | HTR2C | P28335 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MTOR | P42345 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 2/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28806320 | 0.86 | SLC9A3 (0.48) | SLC9A3CYP2D6TSHR | |
| SCHEMBL7951592 | 0.78 | ADRA2A (0.41) | SLC9A3HRH1HTR2CCYP2D6SIGMAR1 | |
| SCHEMBL9772314 | 0.78 | ADRA2A (0.41) | SLC9A3HRH1HTR2CCYP2D6SIGMAR1 | |
| SCHEMBL7961950 | 0.73 | SLC18A3 (0.41) | SLC9A3DRD2HRH1DRD4HTR2C | |
| SCHEMBL9772303 | 0.73 | SLC18A3 (0.41) | SLC9A3DRD2HRH1DRD4HTR2C | |
| Water SCHEMBL466846 | 0.70 | SIGMAR1 (0.40) | SLC9A3DRD2HRH1HTR2CCYP2D6 | |
| 1,2-Dichlorobenzene SCHEMBL9641798 | 0.70 | SIGMAR1 (0.46) | SLC9A3CYP2D6SIGMAR1DRD1 | |
| SCHEMBL6699130 | 0.69 | GRIN2D (0.43) | HRH1SIGMAR1 | |
| SCHEMBL13457953 | 0.69 | SLC9A3 (0.49) | SLC9A3CYP2D6TSHR | |
| SCHEMBL18098658 | 0.69 | SLC9A3 (0.49) | SLC9A3CYP2D6TSHR |
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-110267944-A | Compounds useful for treating gastrointestinal disorders | 阿德利克斯股份有限公司 | 2019-09-20 | — | — | CN | claimed |