Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.45 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | F2 | P00734 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.42 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.42 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3737609 | 1.00 | ABCB11 (0.49) | ABCB11KDM4ETDP1CYP3A4ALOX12 | |
| SCHEMBL11338058 | 0.86 | KDM4E (0.58) | ABCB11KDM4ETDP1NR1H4ALDH1A1 | |
| SCHEMBL134715 | 0.84 | KMT2A (0.57) | ABCB11KDM4ETDP1NR1H4ALDH1A1 | |
| SCHEMBL6869400 | 0.82 | ACHE (0.59) | ABCB11KDM4ETDP1NR1H4ALDH1A1 | |
| SCHEMBL21328028 | 0.82 | KMT2A (0.55) | ABCB11KDM4ETDP1NR1H4ALDH1A1 | |
| SCHEMBL21328040 | 0.82 | KMT2A (0.55) | ABCB11KDM4ETDP1NR1H4ALDH1A1 | |
| SCHEMBL21328030 | 0.82 | KMT2A (0.55) | ABCB11KDM4ETDP1NR1H4ALDH1A1 | |
| SCHEMBL21328026 | 0.82 | KMT2A (0.55) | ABCB11KDM4ETDP1NR1H4ALDH1A1 | |
| SCHEMBL28782069 | 0.82 | KMT2A (0.55) | ABCB11KDM4ETDP1NR1H4ALDH1A1 | |
| SCHEMBL17294832 | 0.82 | CYP4F2 (0.62) | ABCB11KDM4ETDP1NR1H4ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107501089-A | A kind of synthetic method of Mediben active compound | 河南红东方化工股份有限公司 | 2017-12-22 | — | — | CN | claimed |
| CN-107501089-A | A kind of synthetic method of Mediben active compound | 河南红东方化工股份有限公司 | 2017-12-22 | — | — | CN | disclosed |