Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | BLM | P54132 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | WRN | Q14191 | 1/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.54 |
| ▸ | GSK3A | P49840 | 1/20 | 0.45 |
| ▸ | GSK3B | P49841 | 1/20 | 0.45 |
| ▸ | MGLL | Q99685 | 7/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 7/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 7/20 | 0.41 |
| ▸ | FAAH | O00519 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | GMNN | O75496 | 1/20 | 0.39 |
| ▸ | THPO | P40225 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13286345 | 0.80 | PTGS1 (0.38) | ALDH1A1BLMHPGDCYP1A2CYP2C19 | |
| SCHEMBL26971749 | 0.75 | MGLL (0.42) | ALDH1A1BLMHPGDCYP1A2CYP2C19 | |
| SCHEMBL1230253 | 0.74 | ALDH1A1 (0.59) | ALDH1A1BLMHPGDCYP1A2CYP2C19 | |
| SCHEMBL15235369 | 0.74 | MTNR1A (0.53) | ALDH1A1BLMHPGDCYP1A2CYP2C19 | |
| SCHEMBL12583863 | 0.74 | ALDH1A1 (0.70) | ALDH1A1BLMHPGDCYP1A2CYP2C19 | |
| SCHEMBL20582655 | 0.73 | CNR2 (0.38) | ALDH1A1 | |
| SCHEMBL17739813 | 0.72 | OPRM1 (0.50) | ALDH1A1BLMHPGDCYP1A2CYP2C19 | |
| SCHEMBL1271868 | 0.71 | ALDH1A1 (1.00) | ALDH1A1BLMHPGDCYP1A2CYP2C19 | |
| SCHEMBL24726775 | 0.70 | AKT1 (0.45) | ALDH1A1BLMHPGDCYP1A2CYP2C19 | |
| SCHEMBL2655550 | 0.69 | — | — |
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-115443134-A | Conjugates of cell binding molecules and camptothecin analogs | 杭州多禧生物科技有限公司 | 2022-12-06 | — | — | CN | disclosed |
| CN-113423430-A | Amanitoxin conjugates containing branched linkers | 杭州多禧生物科技有限公司 | 2021-09-21 | — | — | CN | disclosed |