Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.40 |
| ▸ | TBXAS1 | P24557 | 4/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.39 |
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 | 0.82 | CALM1 (0.41) | CYP1A2CYP2D6 | |
| SCHEMBL6167364 | 0.79 | CYP11B1 (0.36) | CYP1A2CYP2D6CYP11B1CYP11B2HRH4 | |
| SCHEMBL10492340 | 0.77 | CYP11B1 (0.46) | CYP1A2CYP2D6CYP11B1CYP11B2HRH4 | |
| SCHEMBL27265751 | 0.76 | CHRNB2 (0.38) | CYP1A2CYP2D6CYP11B1CYP11B2HRH4 | |
| SCHEMBL2749985 | 0.75 | CYP1A2 (0.71) | CYP1A2CYP2D6CYP11B1CYP11B2HRH4 | |
| SCHEMBL727185 | 0.73 | CYP1A2 (0.62) | CYP1A2CYP2D6CYP11B1CYP11B2HRH4 | |
| SCHEMBL1299174 | 0.73 | TBXAS1 (0.51) | CYP1A2CYP2D6CYP11B1CYP11B2HRH4 | |
| SCHEMBL6167420 | 0.72 | L3MBTL1 (0.44) | HRH4HRH3 | |
| SCHEMBL10492186 | 0.71 | HTT (0.47) | CYP1A2CYP2D6HRH4HRH3CHRNA7 | |
| SCHEMBL27606289 | 0.71 | MPO (0.43) | CYP1A2CYP2D6CYP11B1CYP11B2HRH4 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |