Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 7/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.51 |
| ▸ | HTR6 | P50406 | 3/20 | 0.51 |
| ▸ | HTR1A | P08908 | 3/20 | 0.51 |
| ▸ | HTR2B | P41595 | 2/20 | 0.51 |
| ▸ | HTR1D | P28221 | 2/20 | 0.51 |
| ▸ | HTR1B | P28222 | 2/20 | 0.51 |
| ▸ | HTR2A | P28223 | 2/20 | 0.51 |
| ▸ | HTR2C | P28335 | 2/20 | 0.51 |
| ▸ | HTR7 | P34969 | 2/20 | 0.51 |
| ▸ | HTR4 | Q13639 | 2/20 | 0.51 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.51 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.51 |
| ▸ | HTR3B | O95264 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | HTR1E | P28566 | 1/20 | 0.51 |
| ▸ | HTR1F | P30939 | 1/20 | 0.51 |
| ▸ | HTR3A | P46098 | 1/20 | 0.51 |
| ▸ | HTR5A | P47898 | 1/20 | 0.51 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL8868790 | 0.89 | HTR1D (0.67) | CYP1A2CYP2D6HTR6HTR1AHTR2B | |
| SCHEMBL8869498 | 0.85 | CYP2D6 (0.52) | CYP1A2CYP2D6HTR6HTR1AHTR2B | |
| Oxalic Acid SCHEMBL8869885 | 0.84 | KMT2A (0.71) | CYP1A2CYP2D6HTR6HTR1AHTR2B | |
| SCHEMBL8868838 | 0.84 | GPR84 (0.47) | CYP1A2CYP2D6HTR6HTR1AHTR2B | |
| SCHEMBL8869895 | 0.81 | CYP2D6 (0.44) | CYP1A2CYP2D6HTR6HTR1AHTR2B | |
| SCHEMBL1196012 | 0.81 | HTR2A (0.74) | CYP1A2CYP2D6HTR6HTR1AHTR2B | |
| SCHEMBL9204127 | 0.80 | HTR2B (0.45) | CYP1A2CYP2D6HTR6HTR1AHTR2B | |
| SCHEMBL8869870 | 0.79 | HTR1A (0.63) | CYP1A2CYP2D6HTR6HTR1AHTR2B | |
| SCHEMBL8870217 | 0.76 | MTNR1A (0.55) | CYP1A2CYP2D6HTR1AHTR2BMTNR1A | |
| SCHEMBL11258933 | 0.74 | HTR1D (0.56) | CYP1A2CYP2D6HTR6HTR1AHTR2B |
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 |