Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | HTR7 | P34969 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL31326626 | 0.88 | HTR1A (0.43) | ALDH1A1KDM4ELMNACYP3A4CYP2D6 | |
| SCHEMBL5501584 | 0.83 | DUT (0.39) | ALDH1A1KDM4ELMNAHPGDGAA | |
| SCHEMBL22558243 | 0.82 | DUT (0.33) | DUT | |
| SCHEMBL14855784 | 0.81 | PSMB1 (0.42) | ALDH1A1KDM4EKMT2AMEN1CYP2C19 | |
| SCHEMBL31326668 | 0.81 | HTR1A (0.33) | HTR7DUTHTR1A | |
| SCHEMBL1640235 | 0.79 | SIGMAR1 (0.37) | ALDH1A1POLBKMT2AMEN1HSD17B10 | |
| SCHEMBL5501806 | 0.77 | DUT (0.39) | LMNAPOLBKMT2AMEN1DUT | |
| SCHEMBL31207059 | 0.77 | MAPT (0.40) | GAAKMT2AMEN1HSD17B10DUT | |
| SCHEMBL32677272 | 0.77 | HRH2 (0.40) | ALDH1A1POLBCYP2C19ALOX15 | |
| SCHEMBL12311332 | 0.76 | NPC1 (0.36) | ALDH1A1HPGDKMT2AMEN1CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113710320-A | Lipoic acid prodrugs | 参天制药株式会社 | 2021-11-26 | — | — | CN | disclosed |
| WO-2020213693-A1 | LIPOIC ACID PRODRUG | 参天製薬株式会社 | 2020-10-22 | — | — | WO | disclosed |
| WO-2007102679-A1 | NOVEL THIENOPYRIMIDINE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | JE IL PHARMACEUTICAL CO., LTD. (KR) | 2007-09-13 | — | — | WO | disclosed |