Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | NR2C2 | P49116 | 1/20 | 0.31 |
| ▸ | TAB1 | Q15750 | 1/20 | 0.31 |
| ▸ | PPM1B | O75688 | 2/20 | 0.30 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.30 |
| ▸ | PPP1CC | P36873 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1088537 | 0.78 | TSHR (0.37) | TSHRKMT2A | |
| SCHEMBL7715616 | 0.78 | CHRM2 (0.31) | — | |
| SCHEMBL7024800 | 0.76 | — | — | |
| SCHEMBL8836695 | 0.74 | PPM1B (0.38) | ALDH1A1MAPTHSD17B10TSHRHPGD | |
| SCHEMBL5718171 | 0.74 | PPM1B (0.38) | ALDH1A1MAPTHSD17B10TSHRHPGD | |
| SCHEMBL8102462 | 0.74 | PPM1B (0.38) | ALDH1A1MAPTHSD17B10TSHRHPGD | |
| SCHEMBL4386205 | 0.74 | PPM1B (0.38) | ALDH1A1MAPTHSD17B10TSHRHPGD | |
| SCHEMBL2424477 | 0.73 | ALDH1A1 (0.55) | ALDH1A1CYP2C19SOAT1HSD17B10ALOX15 | |
| SCHEMBL2781430 | 0.73 | ALDH1A1 (0.44) | ALDH1A1CYP2C19CYP3A4CYP2C9MAPT | |
| SCHEMBL4380706 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0487673-A1 | NEW XANTHINE DERIVATIVES | BOEHRINGER INGELHEIM INTERNATIONAL GmbH (DE) | 1992-06-03 | — | — | EP | disclosed |
| WO-1992000297-A1 | NEW XANTHINE DERIVATIVES | BOEHRINGER INGELHEIM KG (DE) | 1992-01-09 | — | — | WO | disclosed |