Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.46 |
| ▸ | HTR3B | O95264 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | NCF1 | P14598 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | HTR1D | P28221 | 1/20 | 0.46 |
| ▸ | HTR1B | P28222 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR7 | P34969 | 1/20 | 0.46 |
| ▸ | MTOR | P42345 | 1/20 | 0.46 |
| ▸ | HTR3A | P46098 | 1/20 | 0.46 |
| ▸ | HTR5A | P47898 | 1/20 | 0.46 |
| ▸ | HTR6 | P50406 | 1/20 | 0.46 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.46 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL17766598 | 1.00 | HSD17B10 (0.46) | HSD17B10TSHRHTR3EHTR3BCYP1A2 | |
| SCHEMBL17766637 | 0.75 | NPEPPS (0.37) | HSD17B10CYP1A2HTR2AHTR6ALDH1A1 | |
| SCHEMBL4216264 | 0.75 | HSD17B10 (0.48) | HSD17B10TSHRHTR3EHTR3BCYP1A2 | |
| SCHEMBL24531879 | 0.74 | ADRB1 (0.43) | TSHRHTR1AHTR7HTR3AALDH1A1 | |
| SCHEMBL1927670 | 0.74 | MGLL (0.37) | GSK3AGSK3BHCAR1 | |
| SCHEMBL3517237 | 0.69 | HSD17B10 (0.47) | HSD17B10TSHRHTR3EHTR3BCYP1A2 | |
| SCHEMBL8355768 | 0.68 | HSD17B10 (0.42) | HSD17B10TSHRHTR3EHTR3BCYP1A2 | |
| SCHEMBL10972103 | 0.68 | HSD17B10 (0.42) | HSD17B10TSHRHTR3EHTR3BCYP1A2 | |
| Hydrochloric Acid SCHEMBL6888155 | 0.68 | ALDH1A1 (0.49) | HSD17B10TSHRHTR3EHTR3BCYP1A2 | |
| SCHEMBL3319952 | 0.68 | HSD17B10 (0.42) | HSD17B10TSHRHTR3EHTR3BCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2976330-B1 | NEW FAMILY OF DISCRIMINATING MOLECULES FOR NEUTRON AND GAMMA RAYS AND IONIC LIQUIDS | CENTRE NAT RECH SCIENT (FR) | 2022-02-09 | — | — | EP | disclosed |