Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.41 |
| ▸ | FEN1 | P39748 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9661974 | 0.86 | ALDH1A1 (0.45) | CES2CES1ALDH1A1POLBPTGS1 | |
| SCHEMBL9449000 | 0.78 | ALDH1A1 (0.48) | CES2CES1ALDH1A1CYP1A2HPGD | |
| SCHEMBL7613879 | 0.78 | ALDH1A1 (0.56) | ALDH1A1POLBCYP1A2HPGDCYP2C19 | |
| SCHEMBL9449016 | 0.78 | SMN1; SMN2 (0.53) | ALDH1A1POLBHPGDMEN1HTT | |
| SCHEMBL9448980 | 0.77 | CES2 (0.52) | CES2CES1ALDH1A1HPGDNPSR1 | |
| SCHEMBL9448951 | 0.77 | ALDH1A1 (0.46) | ALDH1A1POLBCYP1A2HPGDCYP2C19 | |
| SCHEMBL29883889 | 0.77 | GPR52 (0.45) | ALDH1A1HPGDNPSR1MEN1HTT | |
| SCHEMBL9448877 | 0.77 | GPR52 (0.45) | ALDH1A1HPGDNPSR1MEN1HTT | |
| SCHEMBL6787746 | 0.76 | NPSR1 (0.44) | ALDH1A1CYP1A2HPGDCYP2C19NPSR1 | |
| SCHEMBL9449241 | 0.76 | ALDH1A1 (0.40) | ALDH1A1NPSR1MEN1HTTKMT2A |
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 |