Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.69 |
| ▸ | HTR3B | O95264 | 1/20 | 0.69 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.69 |
| ▸ | HTR3A | P46098 | 1/20 | 0.69 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.69 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.69 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.69 |
| ▸ | USP2 | O75604 | 5/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | TSHR | P16473 | 4/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.53 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.53 |
| ▸ | HTR6 | P50406 | 2/20 | 0.51 |
| ▸ | HTR1A | P08908 | 1/20 | 0.50 |
| ▸ | HTR7 | P34969 | 1/20 | 0.50 |
| ▸ | LTA4H | P09960 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Piperidine SCHEMBL27934131 | 1.00 | HTR3E (0.69) | HTR3EHTR3BADRB1HTR3AHTR3D | |
| Pyrrolidine SCHEMBL12503448 | 0.98 | HTR3E (0.72) | HTR3EHTR3BADRB1HTR3AHTR3D | |
| Phenylpiperazine SCHEMBL3559958 | 0.92 | ADRB1 (0.83) | HTR3EHTR3BADRB1HTR3AHTR3D | |
| Chlorobenzene SCHEMBL8165726 | 0.91 | HTR3E (0.58) | HTR3EHTR3BADRB1HTR3AHTR3D | |
| Piperidine SCHEMBL28077622 | 0.88 | HTR3E (0.55) | HTR3EHTR3BADRB1HTR3AHTR3D | |
| SCHEMBL3066756 | 0.88 | ADRB1 (0.83) | HTR3EHTR3BADRB1HTR3AHTR3D | |
| SCHEMBL8542780 | 0.87 | L3MBTL1 (0.59) | HTR3EHTR3BADRB1HTR3AHTR3D | |
| Benzene SCHEMBL28818227 | 0.87 | L3MBTL1 (0.59) | HTR3EHTR3BADRB1HTR3AHTR3D | |
| SCHEMBL1968506 | 0.87 | L3MBTL1 (0.59) | HTR3EHTR3BADRB1HTR3AHTR3D | |
| SCHEMBL2312380 | 0.87 | L3MBTL1 (0.59) | HTR3EHTR3BADRB1HTR3AHTR3D |
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-105218427-B | Two amidine analog derivatives containing double amidino groups indoles benzene and its preparation method and application | 中国医学科学院医药生物技术研究所 | 2018-05-25 | — | — | CN | disclosed |