Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RY1 | P47900 | 4/20 | 0.71 |
| ▸ | P2RY13 | Q9BPV8 | 4/20 | 0.71 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.71 |
| ▸ | MAPT | P10636 | 6/20 | 0.63 |
| ▸ | TDP1 | Q9NUW8 | 6/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.63 |
| ▸ | MEN1 | O00255 | 4/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.63 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.63 |
| ▸ | HPGD | P15428 | 3/20 | 0.63 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.63 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.63 |
| ▸ | P2RX2 | Q9UBL9 | 2/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.63 |
| ▸ | CASP1 | P29466 | 1/20 | 0.63 |
| ▸ | RAB9A | P51151 | 1/20 | 0.63 |
| ▸ | CASP7 | P55210 | 1/20 | 0.63 |
| ▸ | P2RX5 | Q93086 | 1/20 | 0.63 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL13962115 | 0.85 | P2RY1 (0.71) | P2RY1P2RY13PLA2G2AMAPTTDP1 | |
| SCHEMBL29374112 | 0.83 | MAPT (0.78) | P2RY1P2RY13PLA2G2AMAPTTDP1 | |
| SCHEMBL7093650 | 0.83 | P2RX7 (0.71) | P2RY1P2RY13PLA2G2AMAPTTDP1 | |
| SCHEMBL13962116 | 0.83 | P2RY1 (1.00) | P2RY1P2RY13PLA2G2AMAPTTDP1 | |
| SCHEMBL3361087 | 0.82 | P2RY1 (1.00) | P2RY1P2RY13PLA2G2AMAPTTDP1 | |
| SCHEMBL13961829 | 0.82 | P2RY1 (1.00) | P2RY1P2RY13PLA2G2AMAPTTDP1 | |
| SCHEMBL13961828 | 0.82 | P2RY1 (0.74) | P2RY1P2RY13PLA2G2AMAPTTDP1 | |
| SCHEMBL3361094 | 0.81 | P2RY1 (0.98) | P2RY1P2RY13PLA2G2AMAPTTDP1 | |
| Water SCHEMBL31722292 | 0.81 | P2RY1 (0.97) | P2RY1P2RY13PLA2G2AMAPTTDP1 | |
| SCHEMBL7095149 | 0.80 | P2RX7 (0.69) | P2RY1P2RY13PLA2G2AMAPTTDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6638921-B1 | Pharmaceutically acceptable derivatives thereof Cx, R1 and R2 being as defined in the disclosure may be used to inhibit the activity of HIV integrase. | PHARMACOR INC. (CA) | 2003-10-28 | — | — | US | disclosed |
| WO-2003082881-A2 | PYRIDOXAL-5-PHOSPHATE DERIVATIVES AS HIV INTEGRASE INHIBITORS | PROCYON BIOPHARMA INC. (CA) | 2003-10-09 | — | — | WO | disclosed |