Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.34 |
| ▸ | HPGD | P15428 | 5/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7780945 | 0.77 | CASP2 (0.48) | TSHRALDH1A1HPGD | |
| SCHEMBL6319788 | 0.76 | CA2 (0.38) | TSHRALDH1A1CA1CA2NPC1 | |
| SCHEMBL10036637 | 0.72 | — | — | |
| SCHEMBL3074874 | 0.72 | CA2 (0.44) | ALDH1A1CA1CA2MEN1KMT2A | |
| SCHEMBL5840295 | 0.72 | CA2 (0.38) | TSHRALDH1A1CA1CA2MEN1 | |
| SCHEMBL8582768 | 0.71 | TSHR (0.43) | TSHRALDH1A1CA1CA2NPC1 | |
| SCHEMBL10490814 | 0.69 | CYP2C19 (0.43) | TSHRALDH1A1CA1CA2POLB | |
| SCHEMBL28969880 | 0.69 | CA1 (0.39) | TSHRALDH1A1CA1CA2MEN1 | |
| SCHEMBL7779867 | 0.69 | MEN1 (0.65) | ALDH1A1HPGDUSP2LMNAHTT | |
| SCHEMBL9506089 | 0.68 | MEN1 (0.39) | TSHRALDH1A1CA1CA2LMNA |
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 |