Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 6/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 6/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 5/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.36 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | FYN | P06241 | 2/20 | 0.34 |
| ▸ | LTA4H | P09960 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3661991 | 0.85 | CALM1 (0.41) | CYP3A4ALDH1A1CYP1A2CYP2D6MAPT | |
| SCHEMBL6164805 | 0.79 | CYP1A2 (0.46) | CYP11B1CYP11B2HRH4HRH3CYP1A2 | |
| SCHEMBL6167420 | 0.73 | L3MBTL1 (0.44) | HRH4HRH3ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL1451843 | 0.71 | CYP11B1 (0.41) | CYP11B1CYP11B2CYP17A1CYP3A4CYP19A1 | |
| SCHEMBL61635 | 0.70 | CYP17A1 (0.48) | CYP11B1CYP11B2CYP17A1CYP3A4CYP19A1 | |
| SCHEMBL2750124 | 0.69 | L3MBTL1 (0.63) | CYP11B1CYP11B2HRH4HRH3ALDH1A1 | |
| SCHEMBL4862018 | 0.69 | — | — | |
| SCHEMBL1975291 | 0.69 | — | — | |
| SCHEMBL1924238 | 0.69 | — | — | |
| SCHEMBL1977229 | 0.69 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| CN-1553900-A | Acylsemicarbazides as cyclin dependent kinase inhibitors useful as anti-cancer and anti-proliferative agents | ��ʱ��ʩ����ҩ��˾ | 2004-12-08 | — | — | CN | 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 |
| CN-1297442-A | 5-aminoindeno [1,2-c] pyrazol-4-ones as anti-cancer and anti-proliferative agents | DU PONT PHARM CO (US) | 2001-05-30 | — | — | CN | 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 |