Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 5/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.33 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.33 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | BLM | P54132 | 3/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL7779893 | 0.84 | TDP1 (0.44) | PAOXLMNAALDH1A1KMT2ATSHR | |
| SCHEMBL30034529 | 0.81 | LMNA (0.50) | PAOXLMNAALDH1A1KMT2ATSHR | |
| Acetic Acid SCHEMBL28182959 | 0.79 | PAOX (0.46) | PAOXLMNAALDH1A1KMT2ATSHR | |
| SCHEMBL250410 | 0.78 | CYP2C19 (0.43) | PAOXLMNAALDH1A1KMT2ATSHR | |
| SCHEMBL3972281 | 0.78 | CYP2C19 (0.43) | PAOXLMNAKMT2ATSHRCYP2C19 | |
| SCHEMBL1537292 | 0.78 | CYP2C19 (0.47) | KMT2ATSHRCYP2C19MEN1CYP2C9 | |
| Bicarbonate SCHEMBL30077224 | 0.76 | PAOX (0.50) | PAOXLMNAALDH1A1KMT2ATSHR | |
| SCHEMBL5256524 | 0.76 | CA12 (0.41) | ALDH1A1TSHRMAPK1HPGDCYP2D6 | |
| SCHEMBL8803099 | 0.75 | CYP2C19 (0.41) | PAOXLMNAALDH1A1KMT2ATSHR | |
| Hydrochloric Acid SCHEMBL29183274 | 0.75 | CYP2C19 (0.41) | PAOXLMNAALDH1A1KMT2ATSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0688314-B1 | PRODRUG DERIVATIVES OF ENZYME INHIBITORS WITH HYDROXYL GROUPS, METHODS OF PREPARING THEM AND THEIR USE | HOECHST AG (DE) | 2001-10-04 | — | — | EP | disclosed |
| US-5804559-A | WATER SOLUBILITY | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-09-08 | — | — | US | disclosed |
| EP-0688314-A1 | PRODRUG DERIVATIVES OF ENZYME INHIBITORS WITH HYDROXYL GROUPS, METHODS OF PREPARING THEM AND THEIR USE | HOECHST AKTIENGESELLSCHAFT (DE) | 1995-12-27 | — | — | EP | disclosed |
| WO-1994021604-A1 | PRODRUG DERIVATIVES OF ENZYME INHIBITORS WITH HYDROXYL GROUPS, METHODS OF PREPARING THEM AND THEIR USE | HOECHST AKTIENGESELLSCHAFT (DE) | 1994-09-29 | — | — | WO | disclosed |