Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | FDPS | P14324 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 12/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 10/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 10/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.38 |
| ▸ | TSHR | P16473 | 6/20 | 0.38 |
| ▸ | LMNA | P02545 | 5/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HBB | P68871 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
| ▸ | DNMT3B | Q9UBC3 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 7/20 | 0.33 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.32 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.32 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28529 | 0.85 | FDPS (0.42) | HDAC1HDAC6FDPSCYP1A2CYP2C19 | |
| SCHEMBL28659170 | 0.83 | FDPS (0.41) | HDAC1HDAC6FDPSCYP1A2CYP2C19 | |
| SCHEMBL671498 | 0.83 | FDPS (0.41) | HDAC1HDAC6FDPSCYP1A2CYP2C19 | |
| Water SCHEMBL316719 | 0.83 | FDPS (0.41) | HDAC1HDAC6FDPSCYP1A2CYP2C19 | |
| SCHEMBL1692456 | 0.74 | FDPS (0.56) | HDAC1HDAC6FDPSCYP1A2CYP2C19 | |
| Tetrahydrofuran SCHEMBL28855131 | 0.73 | FDPS (0.35) | HDAC1HDAC6FDPSCYP1A2CYP2C19 | |
| SCHEMBL5349506 | 0.71 | FDPS (0.45) | HDAC1HDAC6FDPSCYP1A2CYP2C19 | |
| SCHEMBL20979882 | 0.71 | HDAC1 (0.43) | HDAC1HDAC6FDPSCYP1A2CYP2C19 | |
| SCHEMBL27773587 | 0.69 | FDPS (0.46) | HDAC1HDAC6FDPSCYP1A2CYP2C19 | |
| SCHEMBL10856499 | 0.69 | FDPS (0.43) | HDAC1HDAC6FDPSCYP1A2CYP2C19 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112125905-B | 6-S,9-N- (diacetyl-Lys-OBzl-mercapto) purine, synthesis, activity and application thereof | 首都医科大学 | 2023-04-07 | — | — | CN | claimed |
| CN-112110924-B | 6-S,9-N- (diacetyl-Lys-OBzl-mercapto) purine, synthesis, activity and application thereof | 首都医科大学（CN） | 2023-01-13 | — | — | CN | claimed |
| CN-112110923-B | 6-S,9-N- (diacetyl-AA-OBzl-mercapto) purine, synthesis, activity and application thereof | 首都医科大学 | 2022-08-05 | — | — | CN | claimed |
| CN-112125905-A | 6-S,9-N- (diacetyl-Lys-OBzl-mercapto) purine, synthesis, activity and application thereof | 首都医科大学 | 2020-12-25 | — | — | CN | claimed |
| CN-112125904-A | 6-S,9-N- (diacetyl-AA-OBzl-mercapto) purine, synthesis, activity and application thereof | 首都医科大学 | 2020-12-25 | — | — | CN | claimed |
| CN-112110923-A | 6-S,9-N- (diacetyl-AA-OBzl-mercapto) purine, synthesis, activity and application thereof | 首都医科大学 | 2020-12-22 | — | — | CN | claimed |
| CN-112110924-A | 6-S,9-N- (diacetyl-Lys-OBzl-mercapto) purine, synthesis, activity and application thereof | 首都医科大学 | 2020-12-22 | — | — | CN | claimed |
| CN-112125905-B | 6-S,9-N- (diacetyl-Lys-OBzl-mercapto) purine, synthesis, activity and application thereof | 首都医科大学 | 2023-04-07 | — | — | CN | disclosed |
| CN-112110924-B | 6-S,9-N- (diacetyl-Lys-OBzl-mercapto) purine, synthesis, activity and application thereof | 首都医科大学（CN） | 2023-01-13 | — | — | CN | disclosed |
| CN-112125904-B | 6-S,9-N- (diacetyl-AA-OBzl-mercapto) purine, synthesis, activity and application thereof | 首都医科大学 | 2022-09-02 | — | — | CN | disclosed |
| CN-112110923-B | 6-S,9-N- (diacetyl-AA-OBzl-mercapto) purine, synthesis, activity and application thereof | 首都医科大学 | 2022-08-05 | — | — | CN | disclosed |
| CN-112125905-A | 6-S,9-N- (diacetyl-Lys-OBzl-mercapto) purine, synthesis, activity and application thereof | 首都医科大学 | 2020-12-25 | — | — | CN | disclosed |
| CN-112125904-A | 6-S,9-N- (diacetyl-AA-OBzl-mercapto) purine, synthesis, activity and application thereof | 首都医科大学 | 2020-12-25 | — | — | CN | disclosed |
| CN-112110923-A | 6-S,9-N- (diacetyl-AA-OBzl-mercapto) purine, synthesis, activity and application thereof | 首都医科大学 | 2020-12-22 | — | — | CN | disclosed |
| CN-112110924-A | 6-S,9-N- (diacetyl-Lys-OBzl-mercapto) purine, synthesis, activity and application thereof | 首都医科大学 | 2020-12-22 | — | — | CN | disclosed |