Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A13 | Q16696 | 7/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | NCF1 | P14598 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | NOS1 | P29475 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28852963 | 0.83 | CYP2A13 (0.75) | CYP2A13CYP2C9ALOX15HSD17B10CXCR4 | |
| SCHEMBL6055273 | 0.83 | CYP2A13 (0.57) | CYP2A13CYP2C9ALOX15HSD17B10CXCR4 | |
| SCHEMBL31172442 | 0.83 | CYP2A13 (0.57) | CYP2A13CYP2C9ALOX15HSD17B10CXCR4 | |
| SCHEMBL6735190 | 0.83 | ALDH1A1 (0.51) | ALDH1A1KDM4EKMT2AMEN1CYP3A4 | |
| SCHEMBL2338990 | 0.83 | CYP2A13 (0.64) | CYP2A13CYP2C9ALOX15HSD17B10CXCR4 | |
| SCHEMBL309875 | 0.82 | LMNA (0.49) | ALDH1A1KDM4ENCF1KMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL9423982 | 0.81 | CYP2A13 (0.62) | CYP2A13CYP2C9ALOX15HSD17B10CXCR4 | |
| SCHEMBL249086 | 0.81 | CYP2A13 (0.61) | CYP2A13CYP2C9ALOX15HSD17B10CXCR4 | |
| SCHEMBL21416735 | 0.81 | LMNA (0.59) | CXCR4CYP3A4CYP2D6 | |
| SCHEMBL9060001 | 0.81 | CYP2A13 (0.71) | CYP2A13CYP2C9ALOX15HSD17B10CXCR4 |
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-2010125103-A1 | DIKETOPIPERAZINE DERIVATIVES AS P2X7 MODULATORS | GLAXO GROUP LIMITED (GB) | 2010-11-04 | — | — | WO | disclosed |