Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | FABP1 | P07148 | 1/20 | 0.56 |
| ▸ | FABP6 | P51161 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | FDPS | P14324 | 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 | |
|---|---|---|---|---|
| SCHEMBL1837886 | 0.88 | CYP1A2 (0.66) | CXCR4CYP1A2FABP1FABP6CYP2C19 | |
| SCHEMBL3265804 | 0.88 | CYP1A2 (0.70) | CXCR4CYP1A2FABP1FABP6CYP2C19 | |
| SCHEMBL19662324 | 0.84 | CYP2C19 (0.65) | CXCR4CYP1A2FABP1FABP6CYP2C19 | |
| SCHEMBL18135162 | 0.84 | — | — | |
| SCHEMBL19322388 | 0.80 | ALDH1A1 (0.67) | CXCR4CYP1A2FABP1FABP6CYP2C19 | |
| SCHEMBL10861718 | 0.79 | CYP1A2 (0.66) | CXCR4CYP1A2FABP1FABP6CYP2C19 | |
| SCHEMBL1344396 | 0.78 | CYP2C19 (0.62) | CXCR4CYP1A2FABP1FABP6CYP2C19 | |
| SCHEMBL5766966 | 0.78 | FABP1 (0.73) | CXCR4CYP1A2FABP1FABP6CYP2C19 | |
| SCHEMBL9644591 | 0.78 | CYP1A2 (0.63) | CXCR4CYP1A2FABP1FABP6CYP2C19 | |
| SCHEMBL10858528 | 0.78 | CYP1A2 (0.63) | CXCR4CYP1A2FABP1FABP6CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2298761-B1 | HIV INHIBITING PYRIMIDINES DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2020-03-25 | — | — | EP | disclosed |