Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR7 | P34969 | 7/20 | 0.50 |
| ▸ | HTR1A | P08908 | 6/20 | 0.50 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.47 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.47 |
| ▸ | HTR3B | O95264 | 3/20 | 0.47 |
| ▸ | HTR2C | P28335 | 3/20 | 0.47 |
| ▸ | HTR3A | P46098 | 3/20 | 0.47 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.47 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.47 |
| ▸ | THRB | P10828 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HTR2B | P41595 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL27475990 | 0.91 | HTR7 (0.60) | HTR7HTR1AADRB1HTR3EHTR3B | |
| Hydrochloric Acid SCHEMBL27483822 | 0.89 | HTR7 (0.58) | HTR7HTR1AADRB1HTR3EHTR3B | |
| Piperazine SCHEMBL28850703 | 0.89 | HTR7 (0.58) | HTR7HTR1AADRB1HTR3EHTR3B | |
| Hydrochloric Acid SCHEMBL27355289 | 0.89 | HTR7 (0.58) | HTR7HTR1AADRB1HTR3EHTR3B | |
| SCHEMBL27662780 | 0.85 | AGXT (0.56) | SIGMAR1DRD2DRD3AGXTALDH1A1 | |
| SCHEMBL21024609 | 0.80 | KHK (0.51) | HTR7HTR1AALDH1A1MAPT | |
| SCHEMBL109316 | 0.79 | AGXT (0.67) | AGXTALDH1A1MAPT | |
| SCHEMBL109344 | 0.78 | AGXT (0.69) | HTR3AHTTHTR6AGXTALDH1A1 | |
| SCHEMBL27468903 | 0.78 | AGXT (0.49) | HTR7HTR1ASIGMAR1HTR2AHTR6 | |
| SCHEMBL113799 | 0.77 | AGXT (0.65) | HTTAGXTALDH1A1MAPT |
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-110337293-A | Therapeutic compound | 新泽西鲁特格斯州立大学 | 2019-10-15 | — | — | CN | disclosed |