Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.52 |
| ▸ | CES1 | P23141 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.41 |
| ▸ | FEN1 | P39748 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8720874 | 0.85 | CES2 (0.55) | CES2CES1ALDH1A1ALOX15GAA | |
| SCHEMBL7613879 | 0.78 | ALDH1A1 (0.56) | ALDH1A1ALOX15MEN1KMT2AMAPT | |
| SCHEMBL295344 | 0.77 | CES2 (0.62) | CES2CES1ALDH1A1ALOX15GPR52 | |
| SCHEMBL9448951 | 0.77 | ALDH1A1 (0.46) | ALDH1A1MAOBMEN1KMT2AMAPT | |
| SCHEMBL9449288 | 0.77 | CES2 (0.52) | CES2CES1ALDH1A1MEN1KMT2A | |
| SCHEMBL29883889 | 0.77 | GPR52 (0.45) | ALDH1A1GPR52MEN1KMT2ANPSR1 | |
| SCHEMBL9448877 | 0.77 | GPR52 (0.45) | ALDH1A1GPR52MEN1KMT2ANPSR1 | |
| SCHEMBL6787746 | 0.76 | NPSR1 (0.44) | ALDH1A1MEN1KMT2AMAPTNPSR1 | |
| Water SCHEMBL29955657 | 0.75 | CES2 (0.60) | CES2CES1ALDH1A1ALOX15GPR52 | |
| Water SCHEMBL9329581 | 0.75 | CES2 (0.60) | CES2CES1ALDH1A1ALOX15GPR52 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0466730-B1 | GEMINAL BISPHOSPHONIC ACIDS AND DERIVATIVES AS ANTI-ARTHRITIC AGENTS | THE UPJOHN COMPANY (US) | 1993-07-21 | — | — | EP | disclosed |
| US-5220021-A | Geminal bisphosphonic acids and derivatives as anti-arthritic agents | THE UPJOHN COMPANY (US) | 1993-06-15 | — | — | US | disclosed |
| WO-1990012017-A1 | GEMINAL BISPHOSPHONIC ACIDS AND DERIVATIVES AS ANTI-ARTHRITIC AGENTS | THE UPJOHN COMPANY (US) | 1990-10-18 | — | — | WO | disclosed |