Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.38 |
| ▸ | CES1 | P23141 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | THRA | P10827 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.32 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28398674 | 1.00 | CES2 (0.38) | CES2CES1LMNACHRM2CHRM4 | |
| SCHEMBL28401226 | 0.86 | DPP4 (0.47) | CES2CES1LMNACHRM2CHRM4 | |
| SCHEMBL28401228 | 0.86 | DPP4 (0.47) | CES2CES1LMNACHRM2CHRM4 | |
| SCHEMBL28407065 | 0.81 | NPC1 (0.50) | LMNATSHRDPP4ALDH1A1HPGD | |
| SCHEMBL28890241 | 0.80 | SMN1; SMN2 (0.39) | LMNATSHRMAPTDPP4TAS1R3 | |
| SCHEMBL23891589 | 0.80 | CES2 (0.44) | CES2CES1MAPTDPP4TRPM8 | |
| SCHEMBL8038792 | 0.79 | TRPA1 (0.49) | CES2CES1MAPTMAOBTRPA1 | |
| SCHEMBL28407080 | 0.76 | ACKR3 (0.44) | CES2CES1ALDH1A1 | |
| SCHEMBL28407079 | 0.76 | ACKR3 (0.44) | CES2CES1ALDH1A1 | |
| SCHEMBL28401232 | 0.75 | LMNA (0.44) | LMNACHRM2CHRM4CHRM5CHRM1 |
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-111217802-B | Histone acetylase p300 inhibitor and application thereof | 海创药业股份有限公司 | 2021-10-08 | — | — | CN | disclosed |
| CN-111217802-A | Histone acetylase p300 inhibitor and application thereof | 成都海创药业有限公司 | 2020-06-02 | — | — | CN | disclosed |