Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | MEN1 | O00255 | 1/20 | 0.61 |
| ▸ | HTT | P42858 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.61 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.61 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.42 |
| ▸ | BAD | Q92934 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 2/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2285570 | 0.79 | CES2 (0.48) | ALDH1A1MEN1HTTKMT2AHIF1A | |
| SCHEMBL9448994 | 0.79 | ALDH1A1 (0.61) | ALDH1A1MEN1HTTKMT2AHIF1A | |
| SCHEMBL28605102 | 0.79 | ALDH1A1 (0.61) | ALDH1A1MEN1HTTKMT2AHIF1A | |
| SCHEMBL2073722 | 0.79 | ALDH1A1 (0.61) | ALDH1A1MEN1HTTKMT2AHIF1A | |
| SCHEMBL9449020 | 0.79 | ALDH1A1 (0.67) | ALDH1A1MEN1HTTKMT2AHIF1A | |
| SCHEMBL5367543 | 0.79 | ALDH1A1 (0.71) | ALDH1A1MEN1HTTKMT2AHIF1A | |
| SCHEMBL82420 | 0.78 | ALDH1A1 (0.60) | ALDH1A1MEN1HTTKMT2AHIF1A | |
| SCHEMBL8871035 | 0.77 | CES2 (0.55) | ALDH1A1MEN1HTTKMT2AHIF1A | |
| SCHEMBL5585739 | 0.76 | ALDH1A1 (0.58) | ALDH1A1MEN1HTTKMT2AHIF1A | |
| SCHEMBL6989989 | 0.75 | TNFRSF1A (0.72) | ALDH1A1MEN1HTTKMT2ATNFRSF1A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113248458-B | Preparation method of alpha-carbonyl amide compound | 陕西省煤田地质集团有限公司 | 2022-09-27 | — | — | CN | disclosed |
| CN-113248458-A | Preparation method of alpha-carbonyl amide compound | 陕西省煤田地质集团有限公司 | 2021-08-13 | — | — | CN | disclosed |
| 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 |
| EP-0466730-A1 | GEMINAL BISPHOSPHONIC ACIDS AND DERIVATIVES AS ANTI-ARTHRITIC AGENTS. | UPJOHN CO (US) | 1992-01-22 | — | — | EP | disclosed |
| WO-1990012017-A1 | GEMINAL BISPHOSPHONIC ACIDS AND DERIVATIVES AS ANTI-ARTHRITIC AGENTS | THE UPJOHN COMPANY (US) | 1990-10-18 | — | — | WO | disclosed |