Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.32 |
| ▸ | NAAA | Q02083 | 1/20 | 0.31 |
| ▸ | ODC1 | P11926 | 1/20 | 0.31 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.31 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | PAOX | Q6QHF9 | 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 | |
|---|---|---|---|---|
| SCHEMBL27437833 | 0.81 | ALDH1A1 (0.45) | CYP1A2ALDH1A1HTR2CATMNAAA | |
| SCHEMBL12677515 | 0.80 | CYP1A2 (0.39) | CYP1A2ALDH1A1HTR2CATMCPB2 | |
| SCHEMBL20704238 | 0.79 | HCAR2 (0.39) | ALDH1A1ATMNAAACYP4F2CYP4A11 | |
| SCHEMBL12972547 | 0.77 | NPSR1 (0.41) | CYP1A2ALDH1A1HTR2CCPB2ODC1 | |
| SCHEMBL12677516 | 0.76 | CYP1A2 (0.36) | CYP1A2ALDH1A1HTR2CCPB2CYP4F2 | |
| SCHEMBL11632535 | 0.75 | CYP1A2 (0.38) | CYP1A2ALDH1A1HTR2CATMCPB2 | |
| SCHEMBL21138399 | 0.73 | CYP1A2 (0.36) | CYP1A2ALDH1A1HTR2CCPB2ODC1 | |
| SCHEMBL28012766 | 0.73 | CYP1A2 (0.36) | CYP1A2ALDH1A1HTR2CCPB2ODC1 | |
| SCHEMBL13447850 | 0.73 | CYP1A2 (0.36) | CYP1A2ALDH1A1HTR2CCPB2ODC1 | |
| SCHEMBL3430619 | 0.73 | ALDH1A1 (0.46) | CYP1A2ALDH1A1ATMCYP4F2CYP4A11 |
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-114573645-A | Lactobionic acid-novel indocyanine green conjugate and preparation method and application thereof | 常州大学 | 2022-06-03 | — | — | CN | disclosed |