Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 6/20 | 0.40 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.38 |
| ▸ | HTR3B | O95264 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.38 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | HTR6 | P50406 | 8/20 | 0.38 |
| ▸ | HTR1A | P08908 | 2/20 | 0.37 |
| ▸ | HTR7 | P34969 | 2/20 | 0.37 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.36 |
| ▸ | KHK | P50053 | 1/20 | 0.36 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL27944993 | 0.89 | ADRB1 (0.37) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL22458799 | 0.79 | ADRB1 (0.47) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| Tert-Butyl Formate SCHEMBL27944980 | 0.79 | HTR6 (0.38) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| Phenylpiperazine SCHEMBL27981600 | 0.79 | ADRB1 (0.62) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| Tert-Butyl Formate SCHEMBL27925830 | 0.78 | ADRB1 (0.48) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| Tert-Butyl Formate SCHEMBL27925823 | 0.78 | OPRL1 (0.39) | HTR6HTR1A | |
| Tert-Butyl Formate SCHEMBL27601926 | 0.75 | ADRB1 (0.44) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| Tert-Butyl Formate SCHEMBL27634126 | 0.74 | ADRB1 (0.47) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| Tert-Butyl Formate SCHEMBL27944974 | 0.74 | ADRB1 (0.45) | ADRB1HTR6HTR1AHTR7 | |
| SCHEMBL11296484 | 0.73 | SIGMAR1 (0.49) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103443102-A | Bicyclic carboxamide inhibitors of kinases | ABBVIE INC | 2013-12-11 | — | — | CN | disclosed |
| CN-103415516-A | Bicyclic inhibitors of ALK | ABBOTT LAB | 2013-11-27 | — | — | CN | disclosed |