Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 6/20 | 0.71 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.46 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.46 |
| ▸ | ACP3 | P15309 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | FABP2 | P12104 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL10120043 | 0.87 | PTGS2 (0.52) | PTGS2MAPTSMN1; SMN2PTGS1HTR2C | |
| SCHEMBL10139331 | 0.87 | PTGS2 (0.52) | PTGS2MAPTSMN1; SMN2PTGS1HTR2C | |
| SCHEMBL9911551 | 0.87 | PTGS2 (0.52) | PTGS2MAPTSMN1; SMN2PTGS1HTR2C | |
| SCHEMBL1211557 | 0.83 | PTGS2 (1.00) | PTGS2CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL7826539 | 0.83 | PTGS2 (1.00) | PTGS2CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL17524311 | 0.82 | PTGS2 (0.81) | PTGS2CYP1A2GAACYP2C9PKM | |
| Hydrochloric Acid SCHEMBL5753890 | 0.82 | PTGS2 (0.96) | PTGS2CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL13385661 | 0.81 | PTGS2 (0.56) | PTGS2CYP1A2GAACYP2C9PKM | |
| SCHEMBL8696877 | 0.80 | PTGS2 (0.71) | PTGS2CYP1A2GAACYP2C9PKM | |
| SCHEMBL11738135 | 0.80 | PTGS2 (0.71) | PTGS2CYP1A2GAACYP2C9PKM |
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-6867310-B1 | Arylation and vinylation of activated carbons | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2005-03-15 | — | — | US | disclosed |