Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX4 | Q99571 | 12/20 | 0.59 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.59 |
| ▸ | HTR2C | P28335 | 1/20 | 0.59 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.59 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.59 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.59 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.59 |
| ▸ | CA12 | O43570 | 4/20 | 0.57 |
| ▸ | CA1 | P00915 | 4/20 | 0.57 |
| ▸ | CA2 | P00918 | 4/20 | 0.57 |
| ▸ | CA9 | Q16790 | 4/20 | 0.57 |
| ▸ | CA5A | P35218 | 1/20 | 0.54 |
| ▸ | CA7 | P43166 | 1/20 | 0.54 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.54 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.54 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL2638624 | 0.85 | CA1 (0.61) | P2RX4CA12CA1CA2CA9 | |
| SCHEMBL4603317 | 0.85 | CA1 (0.61) | P2RX4CA12CA1CA2CA9 | |
| SCHEMBL2639161 | 0.83 | CA2 (0.59) | P2RX4CA12CA1CA2CA9 | |
| SCHEMBL2639656 | 0.83 | CA1 (0.58) | P2RX4CA12CA1CA2CA9 | |
| SCHEMBL2639462 | 0.81 | CA1 (0.56) | P2RX4CA12CA1CA2CA9 | |
| SCHEMBL3837659 | 0.80 | CA1 (0.60) | P2RX4CA12CA1CA2CA9 | |
| SCHEMBL30591438 | 0.77 | P2RX4 (0.90) | P2RX4CYP2C8CYP2D6CYP2C9ADRA2B | |
| SCHEMBL18301740 | 0.77 | P2RX4 (0.90) | P2RX4CYP2C8CYP2D6CYP2C9ADRA2B | |
| SCHEMBL3837658 | 0.75 | CA12 (0.53) | P2RX4CA12CA1CA2CA9 | |
| SCHEMBL31290086 | 0.75 | P2RX4 (0.83) | P2RX4CYP2C8CYP2D6CYP2C9ADRA2B |
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-7166738-B2 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC (US) | 2007-01-23 | — | — | US | disclosed |