Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | TACR1 | P25103 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CTSK | P43235 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | ACE | P12821 | 1/20 | 0.43 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.43 |
| ▸ | CTSL | P07711 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2059140 | 0.85 | TACR1 (0.58) | ALDH1A1TACR1POLBMAPTS1PR1 | |
| SCHEMBL8351818 | 0.85 | ALDH1A1 (0.53) | ALDH1A1KMT2ASLC6A2SLC6A3TDP1 | |
| SCHEMBL21444696 | 0.85 | ALDH1A1 (0.53) | ALDH1A1KMT2ASLC6A2SLC6A3TDP1 | |
| SCHEMBL13108402 | 0.85 | TACR1 (0.58) | ALDH1A1TACR1POLBMAPTS1PR1 | |
| SCHEMBL8348342 | 0.85 | ALDH1A1 (0.53) | ALDH1A1KMT2ASLC6A2SLC6A3TDP1 | |
| SCHEMBL23011779 | 0.84 | ALDH1A1 (0.51) | ALDH1A1KMT2ASLC6A2SLC6A3TDP1 | |
| SCHEMBL20804457 | 0.84 | PPARA (0.53) | ALDH1A1KMT2ASLC6A2SLC6A3TDP1 | |
| SCHEMBL5019111 | 0.84 | ALDH1A1 (0.51) | ALDH1A1TACR1LMNAMAPK1L3MBTL1 | |
| SCHEMBL4954521 | 0.84 | CTRB1 (0.52) | ALDH1A1KMT2ASLC6A2SLC6A3TDP1 | |
| Hydrochloric Acid SCHEMBL30844650 | 0.84 | ALDH1A1 (0.51) | ALDH1A1KMT2ASLC6A2SLC6A3TDP1 |
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 5 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 |
| WO-1994013636-A1 | NEW SUBSTITUTED AZETIDINONES AS ANTI-INFLAMMATORY AND ANTIDEGENERATIVE AGENTS | MERCK & CO., INC. (US) | 1994-06-23 | — | — | WO | disclosed |