Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.57 |
| ▸ | FABP1 | P07148 | 1/20 | 0.55 |
| ▸ | FABP6 | P51161 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.47 |
| ▸ | GFER | P55789 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | FDPS | P14324 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL3265804 | 0.87 | CYP1A2 (0.70) | CYP1A2CYP2C19CXCR4FABP1FABP6 | |
| SCHEMBL450877 | 0.83 | CYP1A2 (0.61) | CYP1A2CYP2C19CXCR4FABP1FABP6 | |
| SCHEMBL15402622 | 0.83 | — | — | |
| SCHEMBL1837886 | 0.83 | CYP1A2 (0.66) | CYP1A2CYP2C19CXCR4FABP1FABP6 | |
| SCHEMBL10861718 | 0.83 | CYP1A2 (0.66) | CYP1A2CYP2C19CXCR4FABP1FABP6 | |
| Hydrochloric Acid SCHEMBL7518301 | 0.82 | CYP1A2 (0.59) | CYP1A2CYP2C19CXCR4FABP1FABP6 | |
| Hydrochloric Acid SCHEMBL5270311 | 0.82 | CYP1A2 (0.59) | CYP1A2CYP2C19CXCR4FABP1FABP6 | |
| SCHEMBL9644591 | 0.81 | CYP1A2 (0.63) | CYP1A2CYP2C19CXCR4FABP1FABP6 | |
| SCHEMBL10858528 | 0.81 | CYP1A2 (0.63) | CYP1A2CYP2C19CXCR4FABP1FABP6 | |
| SCHEMBL1831590 | 0.80 | CYP1A2 (0.58) | CYP1A2CYP2C19CXCR4FABP1FABP6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009123221-A1 | PYRIMIDINE DERIVATIVE HAVING CELL-PROTECTING ACTIVITY AND USE THEREOF | 全薬工業株式会社 (JP) | 2009-10-08 | — | — | WO | disclosed |