Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | HTR7 | P34969 | 1/20 | 0.31 |
| ▸ | HTR6 | P50406 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Phosphoric Acid SCHEMBL29206149 | 0.90 | CYP2A6 (0.32) | CYP2A6 | |
| SCHEMBL27789270 | 0.76 | CYP2A6 (0.33) | CYP2A6GPR84HTR1AHTR7HTR6 | |
| SCHEMBL153944 | 0.76 | ALDH1A1 (0.37) | CYP2A6GPR84HTR1AHTR7HTR6 | |
| SCHEMBL30447652 | 0.76 | CYP2A6 (0.33) | CYP2A6GPR84HTR1AHTR7HTR6 | |
| SCHEMBL12588447 | 0.76 | P2RX7 (0.40) | CYP2A6GPR84HTR1AHTR7HTR6 | |
| SCHEMBL30874715 | 0.76 | HTR1A (0.34) | CYP2A6GPR84HTR1AHTR7HTR6 | |
| Phosphine SCHEMBL27314409 | 0.74 | ALDH1A1 (0.36) | CYP2A6GPR84HTR1AHTR7HTR6 | |
| SCHEMBL26028906 | 0.72 | HTR1A (0.35) | CYP2A6HTR1AHTR7HTR6MEN1 | |
| SCHEMBL28767298 | 0.72 | LRRK2 (0.42) | — | |
| SCHEMBL5011171 | 0.72 | CYP2A6 (0.34) | CYP2A6 |
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-5543323-A | MALARIA VACCINE | HOFFMAN-LA ROCHE INC. (US) | 1996-08-06 | — | — | US | disclosed |