Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRSS1 | P07477 | 1/20 | 0.55 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.55 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.55 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | MITF | O75030 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13971018 | 0.78 | PDK2 (0.40) | PRSS1PRSS2PRSS3 | |
| SCHEMBL10247238 | 0.76 | ALDH1A1 (0.46) | CES2CES1HTTSMN1; SMN2ALDH1A1 | |
| SCHEMBL24222172 | 0.75 | PRSS1 (0.45) | PRSS1PRSS2PRSS3CES2CES1 | |
| SCHEMBL10494608 | 0.75 | ACHE (0.50) | PRSS1PRSS2PRSS3CES2CES1 | |
| SCHEMBL20204760 | 0.73 | PRSS1 (0.64) | PRSS1PRSS2PRSS3CES2CES1 | |
| SCHEMBL9799567 | 0.72 | ALDH1A1 (0.53) | PRSS1PRSS2PRSS3CES2CES1 | |
| SCHEMBL9799574 | 0.72 | ALDH1A1 (0.53) | PRSS1PRSS2PRSS3CES2CES1 | |
| SCHEMBL8404520 | 0.71 | PRSS1 (1.00) | PRSS1PRSS2PRSS3CES2CES1 | |
| SCHEMBL16958843 | 0.70 | PRSS1 (0.54) | PRSS1PRSS2PRSS3CES2CES1 | |
| Hydrochloric Acid SCHEMBL5118627 | 0.70 | PRSS1 (0.95) | PRSS1PRSS2PRSS3CES2CES1 |
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-110437230-B | Tertiary amine compound, diphosphine ligand, intermediate and preparation method thereof | 中国科学院上海有机化学研究所 | 2022-06-21 | — | — | CN | disclosed |