Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19862410 | 0.79 | CYP3A4 (0.48) | CYP3A4TSHRCA1CA2HSD17B10 | |
| SCHEMBL7968082 | 0.78 | MAOA (0.39) | CYP3A4TSHRCA1CA2HSD17B10 | |
| SCHEMBL1762357 | 0.78 | CYP3A4 (0.52) | CYP3A4TSHRCA1CA2HSD17B10 | |
| SCHEMBL27542431 | 0.78 | ALDH1A1 (0.46) | TSHRALDH1A1HPGDRECQLMEN1 | |
| SCHEMBL27859661 | 0.78 | APP (0.38) | ALDH1A1ALOX5 | |
| SCHEMBL28796016 | 0.74 | CYP3A4 (0.43) | CYP3A4TSHRCA1CA2HSD17B10 | |
| SCHEMBL9640869 | 0.74 | CYP3A4 (0.52) | CYP3A4TSHRCA1CA2HSD17B10 | |
| SCHEMBL27603271 | 0.72 | CXCL8 (0.47) | CYP3A4CASP1CYP1A2 | |
| SCHEMBL27859522 | 0.71 | KDM4E (0.32) | ALDH1A1KDM4ESMN1; SMN2LMNA | |
| SCHEMBL3341272 | 0.71 | CYP3A4 (0.44) | CYP3A4TSHRHSD17B10ALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-102264701-A | Dihydropyridone ureas as P2X7 modulators | — | 2011-11-30 | — | — | CN | disclosed |