Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 1/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.45 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL527670 | 0.81 | CALM1 (0.44) | LTA4H | |
| SCHEMBL6165634 | 0.77 | S1PR1 (0.41) | CYP11B1CYP11B2HRH4HRH3CYP1A2 | |
| Biphenyl SCHEMBL28708802 | 0.76 | RAB9A (0.47) | — | |
| SCHEMBL727185 | 0.76 | CYP1A2 (0.62) | CYP11B1CYP11B2HRH4HRH3CYP1A2 | |
| SCHEMBL25344450 | 0.74 | L3MBTL1 (0.43) | — | |
| SCHEMBL29457462 | 0.74 | GABRP (0.42) | — | |
| SCHEMBL25343559 | 0.74 | GABRP (0.42) | — | |
| SCHEMBL7704422 | 0.73 | CYP1B1 (0.32) | — | |
| SCHEMBL11184781 | 0.73 | MAPK1 (0.48) | HRH4HRH3CYP1A2CYP2D6CHRNA7 | |
| SCHEMBL20773636 | 0.72 | IDO1 (0.40) | CYP1A2CYP2D6CYP2C19HIF1A |
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 |