Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 5/20 | 0.60 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.60 |
| ▸ | HTR3B | O95264 | 3/20 | 0.60 |
| ▸ | HTR3A | P46098 | 3/20 | 0.60 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.60 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.60 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.60 |
| ▸ | HTR1A | P08908 | 3/20 | 0.45 |
| ▸ | HTR7 | P34969 | 3/20 | 0.45 |
| ▸ | LTA4H | P09960 | 1/20 | 0.45 |
| ▸ | HTR6 | P50406 | 4/20 | 0.42 |
| ▸ | USP2 | O75604 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | HTR2C | P28335 | 2/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Isothiocyanate SCHEMBL11021338 | 0.98 | ADRB1 (0.58) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL56706 | 0.89 | ADRB1 (0.75) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| Ammonia Solution, Strong SCHEMBL20512352 | 0.87 | ADRB1 (0.72) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| Water SCHEMBL28163332 | 0.87 | ADRB1 (0.72) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| Hydrochloric Acid SCHEMBL11019815 | 0.87 | ADRB1 (0.72) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| Thiourea SCHEMBL11018060 | 0.82 | ADRB1 (0.60) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL17423648 | 0.80 | ADRB1 (0.68) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL2051022 | 0.77 | HTR3A (0.57) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| Phenylpiperazine SCHEMBL55125 | 0.76 | ADRB1 (1.00) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| Phenylpiperazine SCHEMBL29135595 | 0.76 | ADRB1 (1.00) | ADRB1HTR3EHTR3BHTR3AHTR3D |
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-0149140-A2 | Novel compounds | BEECHAM GROUP PLC (GB) | 1985-07-24 | — | — | EP | disclosed |