Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | GLA | P06280 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | GABRP | O00591 | 1/20 | 0.45 |
| ▸ | GABRD | O14764 | 1/20 | 0.45 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.45 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.45 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.45 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.45 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.45 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.45 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.45 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.45 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.45 |
| ▸ | GABRE | P78334 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1920160 | 0.78 | MAPT (0.62) | ALDH1A1KDM4EHSD17B10HPGDGAA | |
| SCHEMBL7508857 | 0.77 | ALDH1A1 (0.43) | ALDH1A1KDM4EHSD17B10HPGDGAA | |
| SCHEMBL6826313 | 0.77 | KMT2A (0.46) | ALDH1A1KDM4EHSD17B10HPGDGAA | |
| SCHEMBL28357458 | 0.75 | ALDH1A1 (0.48) | ALDH1A1KDM4EHSD17B10HPGDGAA | |
| SCHEMBL6921860 | 0.74 | MAPT (0.46) | ALDH1A1KDM4EHSD17B10HPGDTSHR | |
| SCHEMBL7597398 | 0.74 | ALDH1A1 (0.65) | ALDH1A1KDM4ETSHRMEN1KMT2A | |
| SCHEMBL22392277 | 0.73 | KDM4E (0.64) | ALDH1A1KDM4EHSD17B10HPGDGAA | |
| SCHEMBL8758926 | 0.71 | ALDH1A1 (0.60) | ALDH1A1KDM4EHSD17B10HPGDGAA | |
| SCHEMBL1710825 | 0.70 | MAPT (0.50) | ALDH1A1KDM4EHSD17B10HPGDGAA | |
| SCHEMBL30875170 | 0.70 | ALDH1A1 (0.50) | ALDH1A1KDM4EHSD17B10HPGDTSHR |
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-2004111052-A1 | PYRROLOPYRIMIDINE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE (MDR) | XENOVA LIMITED (GB) | 2004-12-23 | — | — | WO | disclosed |