Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | TBXAS1 | P24557 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6163991 | 0.79 | CYP17A1 (0.40) | HRH4HRH3CYP1A2CYP2D6L3MBTL1 | |
| SCHEMBL727185 | 0.73 | CYP1A2 (0.62) | HRH4HRH3CYP1A2CYP2D6CHRNB2 | |
| SCHEMBL6166150 | 0.70 | HRH4 (0.42) | HRH4HRH3CYP1A2CYP2D6CHRNB2 | |
| SCHEMBL6168635 | 0.70 | HRH4 (0.46) | HRH4HRH3CYP1A2CYP2D6CHRNB2 | |
| SCHEMBL6164175 | 0.69 | L3MBTL1 (0.42) | HRH4HRH3TDP1L3MBTL1 | |
| SCHEMBL2749985 | 0.68 | CYP1A2 (0.71) | HRH4HRH3CYP1A2CYP2D6CHRNB2 | |
| SCHEMBL14257669 | 0.68 | CYP1A2 (0.56) | HRH4HRH3CYP1A2CYP2D6CHRNB2 | |
| SCHEMBL177863 | 0.68 | CYP11B1 (0.65) | HRH4HRH3CYP1A2CYP2D6CHRNA7 | |
| SCHEMBL29995759 | 0.68 | CYP11B1 (0.65) | HRH4HRH3CYP1A2CYP2D6CHRNA7 | |
| SCHEMBL24768055 | 0.67 | CYP2A6 (0.50) | HRH4HRH3CYP1A2CYP2D6CHRNB2 |
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 5 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 |
| 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 |