Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 4/20 | 0.42 |
| ▸ | NCF1 | P14598 | 3/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | PLD1 | Q13393 | 2/20 | 0.40 |
| ▸ | HTR1A | P08908 | 4/20 | 0.39 |
| ▸ | HTR3A | P46098 | 2/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.38 |
| ▸ | HTR7 | P34969 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | HTR2B | P41595 | 2/20 | 0.38 |
| ▸ | HTR6 | P50406 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | AXL | P30530 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.38 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.38 |
| ▸ | TIPARP | Q7Z3E1 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29915638 | 0.89 | ADRB1 (0.41) | ADRB2NCF1EPHX2HTR1AHTR3A | |
| Pyridine SCHEMBL28147257 | 0.85 | HTR1A (0.46) | ADRB2NCF1EPHX2PLD1HTR1A | |
| SCHEMBL8191985 | 0.75 | HTR1A (0.46) | HTR1AHTR3AADRB1HTR7SLC6A2 | |
| SCHEMBL3218230 | 0.74 | HTR3A (0.47) | NCF1EPHX2HTR1AHTR3AADRB1 | |
| Hydrochloric Acid SCHEMBL15937978 | 0.73 | LMNA (0.48) | HTR1AHTR3AADRB1HTR7SLC6A2 | |
| Trifluoroacetic Acid SCHEMBL28779025 | 0.69 | BACE1 (0.43) | ADRB2NCF1HTR1AHTR3AADRB1 | |
| SCHEMBL27687351 | 0.69 | HTR6 (0.56) | ADRB2HTR1AHTR3AADRB1HTR7 | |
| Pyridine SCHEMBL28182613 | 0.67 | ADRB1 (0.77) | ADRB2NCF1PLD1HTR1AHTR3A | |
| SCHEMBL9790141 | 0.67 | ADRB1 (0.63) | NCF1HTR1AHTR3AADRB1HTR7 | |
| SCHEMBL4727692 | 0.67 | ADRB1 (0.64) | NCF1EPHX2HTR1AHTR3AADRB1 |
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-106794364-A | Substituted 4-phenylpiperidines, their preparation and use | 哥伦比亚大学董事会 | 2017-05-31 | — | — | CN | disclosed |