Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 5/20 | 0.53 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.50 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.50 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.49 |
| ▸ | HTR3B | O95264 | 3/20 | 0.49 |
| ▸ | HTR3A | P46098 | 3/20 | 0.49 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.49 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.49 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.48 |
| ▸ | BRD4 | O60885 | 2/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.46 |
| ▸ | HTR1A | P08908 | 2/20 | 0.46 |
| ▸ | HTR7 | P34969 | 2/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.45 |
| ▸ | SUV39H2 | Q9H5I1 | 2/20 | 0.45 |
| ▸ | HTR1D | P28221 | 1/20 | 0.44 |
| ▸ | HTR1B | P28222 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1639487 | 0.91 | ADRB1 (0.65) | ADRB1TGFBR1ACVR1HTR3EHTR3B | |
| Hydrochloric Acid SCHEMBL1638699 | 0.89 | ADRB1 (0.63) | ADRB1TGFBR1ACVR1HTR3EHTR3B | |
| Hydrochloric Acid SCHEMBL27692066 | 0.89 | ADRB1 (0.63) | ADRB1TGFBR1ACVR1HTR3EHTR3B | |
| SCHEMBL1639658 | 0.78 | BCL2A1 (0.50) | ADRB1TGFBR1ACVR1ALKSUV39H2 | |
| SCHEMBL1639654 | 0.78 | BCL2A1 (0.50) | ADRB1TGFBR1ACVR1ALKSUV39H2 | |
| SCHEMBL2867159 | 0.78 | BCL2A1 (0.50) | ADRB1TGFBR1ACVR1ALKSUV39H2 | |
| SCHEMBL13456456 | 0.78 | ALK (0.43) | ADRB1TGFBR1ACVR1HTR3EHTR3B | |
| SCHEMBL8182707 | 0.78 | ADRB1 (0.65) | ADRB1TGFBR1ACVR1HTR3EHTR3B | |
| SCHEMBL13682933 | 0.78 | ALDH1A1 (0.58) | SUV39H2LMNAMAPT | |
| SCHEMBL12625177 | 0.78 | ALDH1A1 (0.58) | SUV39H2LMNAMAPT |
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-105008375-B | Tetrahydroimidazo [1,5-d ] [1,4] oxazepine derivatives | 卫材R&D管理有限公司 | 2016-12-28 | — | — | CN | disclosed |