Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2841534 | 0.98 | CES2 (0.45) | ALDH1A1KDM4EKMT2ACES2CES1 | |
| SCHEMBL8584103 | 0.88 | KDM2B (0.46) | KDM4EKMT2ATSHRLMNACYP3A4 | |
| SCHEMBL8587643 | 0.84 | FAAH (0.45) | ALDH1A1KDM4EKMT2ACES2CES1 | |
| SCHEMBL8586762 | 0.82 | FAAH (0.43) | ALDH1A1KDM4EKMT2ACES2CES1 | |
| SCHEMBL27745498 | 0.82 | KDM4E (0.49) | ALDH1A1KDM4EHPGDTSHRCYP3A4 | |
| SCHEMBL27796546 | 0.80 | L3MBTL1 (0.48) | ALDH1A1KDM4EHPGDTSHRGAA | |
| SCHEMBL2034770 | 0.76 | CYP1A2 (0.50) | ALDH1A1KDM4EKMT2ATSHRLMNA | |
| SCHEMBL1166738 | 0.75 | ALDH1A1 (0.58) | ALDH1A1KMT2AHPGDTSHRGAA | |
| SCHEMBL18259718 | 0.75 | L3MBTL1 (0.51) | ALDH1A1KDM4EKMT2AHPGDTSHR | |
| SCHEMBL27807027 | 0.74 | MAPT (0.50) | ALDH1A1KDM4EKMT2ALMNAGAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998031697-A1 | ARYL C-GLYCOSIDE COMPOUNDS AND SULFATED ESTERS THEREOF | SANKYO COMPANY, LIMITED (JP) | 1998-07-23 | — | — | WO | disclosed |