Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | UNG | P13051 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | FBP1 | P09467 | 1/20 | 0.40 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.39 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | PGK1 | P00558 | 1/20 | 0.37 |
| ▸ | PGK2 | P07205 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28376764 | 1.00 | ALDH1A1 (0.48) | ALDH1A1CYP2A6UNGMAOBMAOA | |
| SCHEMBL6854130 | 0.94 | ALDH1A1 (0.48) | ALDH1A1CYP2A6UNGMAOBMAOA | |
| SCHEMBL6849342 | 0.91 | ALDH1A1 (0.42) | ALDH1A1CYP2A6UNGFBP1NFE2L2 | |
| SCHEMBL67201 | 0.82 | FBP1 (0.56) | ALDH1A1MAOBFBP1NFE2L2MEN1 | |
| SCHEMBL29425705 | 0.82 | FBP1 (0.56) | ALDH1A1MAOBFBP1NFE2L2MEN1 | |
| SCHEMBL17508286 | 0.82 | ALDH1A1 (0.54) | ALDH1A1CYP2A6MAOBKMT2ATSHR | |
| SCHEMBL17508337 | 0.81 | KCNN4 (0.38) | ALDH1A1CYP2A6UNGMAOBMAOA | |
| SCHEMBL6855120 | 0.80 | ALDH1A1 (0.47) | ALDH1A1CYP2A6UNGMAOBMAOA | |
| SCHEMBL20546680 | 0.80 | KDM4E (0.44) | ALDH1A1CYP2A6UNGMAOBMAOA | |
| SCHEMBL30644949 | 0.80 | KDM4E (0.44) | ALDH1A1CYP2A6UNGMAOBMAOA |
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-110835335-B | 2, 5-diketopiperazine compound and application thereof in preparation of anti-cancer drugs | 深圳华大海洋科技有限公司 | 2022-04-15 | — | — | CN | disclosed |