Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | XDH | P47989 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | CNR1 | P21554 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | PPARG | P37231 | 2/20 | 0.35 |
| ▸ | PPARD | Q03181 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH2 | P05091 | 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 | |
|---|---|---|---|---|
| SCHEMBL6263856 | 0.81 | TSHR (0.53) | CYP3A4MAPTALDH1A1HTTMEN1 | |
| SCHEMBL10766133 | 0.72 | TDP1 (0.53) | MAPTALDH1A1MEN1GAAKMT2A | |
| SCHEMBL11789708 | 0.72 | ALDH1A1 (0.44) | CYP3A4XDHMAPTCYP1A2ALDH1A1 | |
| SCHEMBL11172226 | 0.71 | ALDH1A1 (0.47) | CYP3A4MAPTALDH1A1GABRA1GABRB2 | |
| SCHEMBL11129605 | 0.70 | TXNRD1 (0.40) | CYP3A4MAPTCYP1A2ALDH1A1GABRA1 | |
| SCHEMBL3220497 | 0.70 | XDH (0.43) | CYP3A4XDHMAPTCYP1A2ALDH1A1 | |
| SCHEMBL3259762 | 0.70 | XDH (0.58) | CYP3A4XDHMAPTCYP1A2ALDH1A1 | |
| SCHEMBL28308673 | 0.70 | ALDH1A1 (0.37) | CYP3A4XDHMAPTCYP1A2ALDH1A1 | |
| SCHEMBL30083985 | 0.68 | ALDH1A1 (0.48) | CYP3A4XDHMAPTCYP1A2ALDH1A1 | |
| SCHEMBL16487290 | 0.68 | ALDH1A1 (0.48) | CYP3A4XDHMAPTCYP1A2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5795971-A | FOR PAPER, CELLULOSE | BAYER AKTIENGESELLSCHAFT (DE) | 1998-08-18 | — | — | US | disclosed |