Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.50 |
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.43 |
| ▸ | WNT3A | P56704 | 1/20 | 0.43 |
| ▸ | BDKRB1 | P46663 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12295978 | 0.82 | FASN (0.49) | PARP1NPC1MEN1KMT2AKDM4E | |
| SCHEMBL24176082 | 0.82 | UNG (0.56) | MEN1KMT2AMAPTLMNAHDAC1 | |
| SCHEMBL28376319 | 0.81 | NPC1 (0.44) | CES2CES1NPC1MEN1KMT2A | |
| SCHEMBL1004343 | 0.81 | AKR1C3 (0.57) | MEN1KMT2AMAPTLMNAKDM4E | |
| SCHEMBL1513045 | 0.80 | CES2 (0.57) | CES2CES1PARP1NPC1MEN1 | |
| SCHEMBL10321851 | 0.79 | LMNA (0.44) | MEN1KMT2AMAPTLMNASMN1; SMN2 | |
| SCHEMBL28376318 | 0.79 | MAPK1 (0.44) | NPC1MEN1KMT2AMAPTHTT | |
| SCHEMBL10997315 | 0.78 | AKR1C3 (0.66) | CES2CES1PARP1NPC1MEN1 | |
| SCHEMBL8022367 | 0.77 | CES2 (0.53) | CES2CES1PARP1NPC1MEN1 | |
| SCHEMBL29963651 | 0.77 | MAPT (0.65) | CES2CES1PARP1NPC1MEN1 |
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-117285512-A | 2, 5-diketopiperazine-imidazole compound, preparation method and application thereof | 大连万众益生大健康有限公司 | 2023-12-26 | — | — | CN | disclosed |
| CN-114685456-B | 2, 5-diketopiperazine compound derivative, preparation method thereof, pharmaceutical composition and application thereof | 大连万众益生大健康有限公司 | 2023-10-10 | — | — | CN | disclosed |