Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.97 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.81 |
| ▸ | MEN1 | O00255 | 6/20 | 0.81 |
| ▸ | TSHR | P16473 | 3/20 | 0.81 |
| ▸ | MAPT | P10636 | 2/20 | 0.81 |
| ▸ | LMNA | P02545 | 1/20 | 0.81 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.81 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.76 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.72 |
| ▸ | GAA | P10253 | 1/20 | 0.70 |
| ▸ | RAB9A | P51151 | 1/20 | 0.70 |
| ▸ | RAD52 | P43351 | 1/20 | 0.68 |
| ▸ | GFER | P55789 | 1/20 | 0.68 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.68 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.68 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.68 |
| ▸ | USP2 | O75604 | 1/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.67 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.67 |
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 | |
|---|---|---|---|---|
| SCHEMBL1646961 | 0.99 | ALDH1A1 (1.00) | ALDH1A1KMT2AMEN1TSHRMAPT | |
| SCHEMBL1644843 | 0.89 | L3MBTL1 (0.79) | ALDH1A1KMT2AMEN1TSHRMAPT | |
| SCHEMBL6169872 | 0.88 | ALDH1A1 (0.76) | ALDH1A1KMT2AMEN1TSHRMAPT | |
| SCHEMBL1646834 | 0.88 | ALDH1A1 (0.76) | ALDH1A1KMT2AMEN1TSHRMAPT | |
| SCHEMBL1646962 | 0.88 | ALDH1A1 (0.76) | ALDH1A1KMT2AMEN1TSHRMAPT | |
| SCHEMBL1643927 | 0.88 | ALDH1A1 (0.76) | ALDH1A1KMT2AMEN1TSHRMAPT | |
| SCHEMBL6175296 | 0.87 | ALDH1A1 (0.74) | ALDH1A1KMT2AMEN1TSHRMAPT | |
| SCHEMBL6170356 | 0.85 | ALDH1A1 (0.73) | ALDH1A1KMT2AMEN1TSHRMAPT | |
| SCHEMBL6172995 | 0.83 | ALDH1A1 (0.70) | ALDH1A1KMT2AMEN1TSHRMAPT | |
| SCHEMBL13102353 | 0.82 | LMNA (0.72) | ALDH1A1KMT2AMEN1TSHRMAPT |
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 |
|---|---|---|---|---|---|---|---|
| JP-4665239-B2 | — | — | 2011-04-06 | — | — | JP | claimed |
| EP-1417177-A4 | ACYLSEMICARBAZIDES AS CYCLIN DEPENDENT KINASE INHIBITORS USEFUL AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS | BRISTOL MYERS SQUIBB PHARMA CO (US) | 2005-10-19 | — | — | EP | disclosed |
| EP-1417177-A2 | ACYLSEMICARBAZIDES AS CYCLIN DEPENDENT KINASE INHIBITORS USEFUL AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS | Bristol-Myers Squibb Pharma Company (US) | 2004-05-12 | — | — | EP | disclosed |
| WO-2003007883-A2 | ACYLSEMICARBAZIDES AS CYCLIN DEPENDENT KINASE INHIBITORS USEFUL AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2003-01-30 | — | — | WO | disclosed |
| EP-1071668-A1 | 5-AMINOINDENO(1,2-C)PYRAZOL-4-ONES AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS | Du Pont Pharmaceuticals Company (US) | 2001-01-31 | — | — | EP | disclosed |
| WO-1999054308-A1 | 5-AMINOINDENO(1,2-C)PYRAZOL-4-ONES AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS | DU PONT PHARMACEUTICALS COMPANY (US) | 1999-10-28 | — | — | WO | disclosed |