Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.60 |
| ▸ | CES1 | P23141 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | POLB | P06746 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.46 |
| ▸ | FEN1 | P39748 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | SMO | Q99835 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL4806049 | 1.00 | CES2 (0.60) | CES2CES1ALDH1A1POLBCYP1A2 | |
| SCHEMBL4000363 | 0.80 | CES2 (0.58) | CES2CES1ALDH1A1POLBCYP1A2 | |
| SCHEMBL28677921 | 0.77 | KDM4E (0.54) | ALDH1A1HPGDCYP2C19KMT2ATSHR | |
| SCHEMBL4707495 | 0.77 | CES2 (0.54) | CES2CES1ALDH1A1POLBCYP1A2 | |
| Methyl Alcohol SCHEMBL28939417 | 0.77 | CES2 (0.54) | CES2CES1ALDH1A1POLBCYP1A2 | |
| SCHEMBL19332963 | 0.76 | CES2 (0.58) | CES2CES1ALDH1A1HPGDERCC5 | |
| SCHEMBL18104841 | 0.76 | NPC1 (0.43) | ALDH1A1POLBHPGDKMT2AMEN1 | |
| SCHEMBL11643111 | 0.76 | HPGD (0.46) | ALDH1A1POLBHPGDERCC5FEN1 | |
| SCHEMBL12204783 | 0.76 | ALDH1A1 (0.39) | CES2CES1ALDH1A1POLBKMT2A | |
| SCHEMBL17244263 | 0.76 | MAPT (0.50) | ALDH1A1POLBHPGDKMT2ATSHR |
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-117263933-A | Alpha-carboline derivative and synthesis method thereof | 湘潭大学 | 2023-12-22 | — | — | CN | claimed |
| CN-117263933-A | Alpha-carboline derivative and synthesis method thereof | 湘潭大学 | 2023-12-22 | — | — | CN | disclosed |