Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.57 |
| ▸ | ERN1 | O75460 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 3/20 | 0.52 |
| ▸ | PPARG | P37231 | 1/20 | 0.51 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.51 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | TP53 | P04637 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL5885102 | 0.89 | ALDH1A1 (0.59) | ALDH1A1KDM4ETSHRGAAPPARG | |
| SCHEMBL28983006 | 0.87 | TSHR (0.58) | ALDH1A1KDM4ETSHRGAASLC6A2 | |
| SCHEMBL13776773 | 0.86 | SLC6A2 (0.60) | ALDH1A1KDM4EERN1TSHRGAA | |
| SCHEMBL30285198 | 0.85 | SLC6A3 (0.66) | ALDH1A1KDM4EGAASLC6A2SLC6A4 | |
| SCHEMBL28983032 | 0.85 | ALDH1A1 (0.60) | ALDH1A1KDM4ETSHRGAAMAPT | |
| SCHEMBL5154594 | 0.84 | ALDH1A1 (0.61) | ALDH1A1KDM4EERN1TSHRGAA | |
| SCHEMBL3947570 | 0.84 | TSHR (0.59) | ALDH1A1KDM4EERN1TSHRGAA | |
| SCHEMBL27686775 | 0.84 | TSHR (0.59) | ALDH1A1KDM4EERN1TSHRGAA | |
| SCHEMBL6513919 | 0.83 | KDM4E (0.54) | ALDH1A1KDM4EGAASLC6A2SLC6A4 | |
| SCHEMBL8887143 | 0.82 | GAA (0.59) | ALDH1A1KDM4EGAASLC6A2SLC6A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-6358985-B1 | ANTICANCER AGENT | MERCK & CO., INC. | 2002-03-19 | — | — | US | disclosed |
| EP-1091736-A4 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | MERCK & CO INC (US) | 2001-10-24 | — | — | EP | disclosed |
| EP-1091736-A1 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | Merck & Co., Inc. (US) | 2001-04-18 | — | — | EP | disclosed |
| WO-2000001382-A1 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 2000-01-13 | — | — | WO | disclosed |