Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 4/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | LTA4H | P09960 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2155208 | 0.75 | CYP3A4 (0.41) | ALDH1A1TSHRKDM4ECYP3A4TDP1 | |
| Ether SCHEMBL1679520 | 0.73 | CYP3A4 (0.60) | ALDH1A1TSHRKDM4EPOLBNPSR1 | |
| SCHEMBL5572991 | 0.71 | TDP1 (0.38) | KDM4ECYP3A4TDP1L3MBTL1MEN1 | |
| Ether SCHEMBL17061168 | 0.71 | CYP3A4 (0.57) | ALDH1A1TSHRKDM4EPOLBNPSR1 | |
| SCHEMBL3652612 | 0.70 | CYP3A4 (0.36) | ALDH1A1TSHRPOLBNPSR1CYP3A4 | |
| Ether SCHEMBL28150517 | 0.70 | CYP3A4 (0.36) | ALDH1A1TSHRKDM4EPOLBNPSR1 | |
| SCHEMBL911476 | 0.69 | CYP3A4 (0.39) | ALDH1A1TSHRNPSR1CYP3A4TDP1 | |
| SCHEMBL17670017 | 0.68 | CES2 (0.37) | KDM4ECYP3A4TDP1L3MBTL1LTA4H | |
| SCHEMBL27587243 | 0.67 | TDP1 (0.43) | ALDH1A1TSHRPOLBNPSR1CYP3A4 | |
| SCHEMBL28018587 | 0.67 | CYP3A4 (0.38) | ALDH1A1TSHRNPSR1CYP3A4TDP1 |
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-107973818-A | A kind of preparation method of cremart | 江苏大学 | 2018-05-01 | — | — | CN | disclosed |