Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | USP2 | O75604 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | HTR2B | P41595 | 4/20 | 0.43 |
| ▸ | HTR1A | P08908 | 3/20 | 0.43 |
| ▸ | HTR2A | P28223 | 2/20 | 0.43 |
| ▸ | HTR2C | P28335 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 4/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 4/20 | 0.41 |
| ▸ | HTR1D | P28221 | 2/20 | 0.41 |
| ▸ | HTR1B | P28222 | 2/20 | 0.41 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.41 |
| ▸ | HTR3B | O95264 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8869627 | 0.83 | HTR2B (0.51) | CYP2D6CYP1A2CYP3A4KMT2AHTR2B | |
| SCHEMBL8869901 | 0.81 | CYP1A2 (0.51) | CYP2D6CYP1A2CYP3A4USP2CYP2C19 | |
| Oxalic Acid SCHEMBL8869885 | 0.81 | KMT2A (0.71) | CYP2D6CYP1A2CYP3A4USP2CYP2C19 | |
| SCHEMBL8868790 | 0.80 | HTR1D (0.67) | CYP2D6CYP1A2KMT2AHTR2BHTR1A | |
| SCHEMBL8870342 | 0.80 | SCN9A (0.46) | KMT2AHTR2BHTR1AHTR2AHTR2C | |
| SCHEMBL8868849 | 0.79 | SCN9A (0.43) | CYP2D6CYP1A2CYP3A4USP2CYP2C19 | |
| SCHEMBL8870092 | 0.79 | HTR1D (0.44) | KMT2AHTR2BHTR1AHTR2AHTR2C | |
| SCHEMBL8868838 | 0.77 | GPR84 (0.47) | CYP2D6CYP1A2CYP3A4USP2CYP2C19 | |
| SCHEMBL9204127 | 0.77 | HTR2B (0.45) | CYP2D6CYP1A2CYP3A4USP2CYP2C19 | |
| SCHEMBL23927939 | 0.76 | HTR2B (0.55) | CYP2D6CYP1A2CYP3A4KMT2AHTR2B |
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 |
|---|---|---|---|---|---|---|---|
| US-5637593-A | MIGRAINE; HYPOTENSIVE AGENTS | SMITHKLINE BEECHAM PLC (GB) | 1997-06-10 | — | — | US | disclosed |