Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | POLB | P06746 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 6/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TYR | P14679 | 1/20 | 0.44 |
| ▸ | DAO | P14920 | 1/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | MAOA | P21397 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29925909 | 0.84 | KDM4E (0.50) | KDM4EALDH1A1POLBHPGDLMNA | |
| SCHEMBL4633748 | 0.79 | HPGD (0.51) | KDM4EALDH1A1POLBHPGDLMNA | |
| SCHEMBL210314 | 0.77 | POLB (0.63) | KDM4EALDH1A1POLBHPGDLMNA | |
| Water SCHEMBL28341685 | 0.76 | POLB (0.61) | KDM4EALDH1A1POLBHPGDLMNA | |
| SCHEMBL106241 | 0.75 | MEN1 (0.60) | KDM4EALDH1A1POLBHPGDRAB9A | |
| SCHEMBL15842545 | 0.75 | KDM4E (0.48) | KDM4EALDH1A1POLBHPGDLMNA | |
| SCHEMBL7566904 | 0.75 | KDM4E (0.58) | KDM4EALDH1A1POLBHPGDLMNA | |
| SCHEMBL28437671 | 0.74 | HPGD (0.58) | KDM4EALDH1A1POLBHPGDLMNA | |
| SCHEMBL30659721 | 0.74 | CA12 (0.51) | KDM4EALDH1A1HPGDMAOBMEN1 | |
| SCHEMBL11098991 | 0.74 | ALDH1A1 (0.53) | KDM4EALDH1A1POLBHPGDLMNA |
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-115057850-A | Aloe-emodin derivative and preparation method and application thereof | 中国医学科学院药用植物研究所 | 2022-09-16 | — | — | CN | disclosed |