Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 5/20 | 0.39 |
| ▸ | ELANE | P08246 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.37 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28615203 | 0.83 | L3MBTL1 (0.47) | ALDH1A1HPGDKDM4EL3MBTL1NR1H2 | |
| SCHEMBL28615205 | 0.80 | NOD2 (0.51) | ALDH1A1SMN1; SMN2KDM4ELMNAL3MBTL1 | |
| SCHEMBL18357456 | 0.79 | ALDH1A1 (0.47) | ALDH1A1HPGDSMN1; SMN2P2RX4BCHE | |
| SCHEMBL4554717 | 0.79 | NR1H2 (0.60) | NR1H2NR1H3 | |
| SCHEMBL6072599 | 0.77 | POLB (0.50) | ALDH1A1HPGDKDM4ELMNATP53 | |
| SCHEMBL28613208 | 0.74 | TSHR (0.47) | ALDH1A1BCHEKDM4ELMNATP53 | |
| SCHEMBL4421581 | 0.71 | RAB9A (0.55) | ALDH1A1HPGDSMN1; SMN2P2RX4KDM4E | |
| SCHEMBL4176419 | 0.70 | NOTUM (0.59) | ALDH1A1HPGDSMN1; SMN2P2RX4BCHE | |
| SCHEMBL31070155 | 0.70 | KDM4E (0.46) | ALDH1A1KDM4ELMNATP53L3MBTL1 | |
| SCHEMBL9395651 | 0.68 | ALDH1A1 (0.50) | ALDH1A1HPGDSMN1; SMN2P2RX4BCHE |
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-108530335-B | Indole compound and preparation method and application thereof | 华南农业大学 | 2021-08-31 | — | — | CN | disclosed |