Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.70 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.65 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.65 |
| ▸ | MEN1 | O00255 | 6/20 | 0.64 |
| ▸ | TSHR | P16473 | 3/20 | 0.64 |
| ▸ | MAPT | P10636 | 2/20 | 0.64 |
| ▸ | LMNA | P02545 | 1/20 | 0.64 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.64 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.61 |
| ▸ | USP2 | O75604 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | HTT | P42858 | 1/20 | 0.61 |
| ▸ | RAB9A | P51151 | 1/20 | 0.60 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL1644836 | 0.83 | ALDH1A1 (0.97) | ALDH1A1KMT2ACYP2C19CYP2D6MEN1 | |
| SCHEMBL6170356 | 0.83 | ALDH1A1 (0.73) | ALDH1A1KMT2ACYP2C19CYP2D6MEN1 | |
| SCHEMBL6169872 | 0.83 | ALDH1A1 (0.76) | ALDH1A1KMT2ACYP2C19CYP2D6MEN1 | |
| SCHEMBL1646961 | 0.82 | ALDH1A1 (1.00) | ALDH1A1KMT2ACYP2C19MEN1TSHR | |
| SCHEMBL1644843 | 0.81 | L3MBTL1 (0.79) | ALDH1A1KMT2ACYP2C19CYP2D6MEN1 | |
| SCHEMBL1646834 | 0.80 | ALDH1A1 (0.76) | ALDH1A1KMT2ACYP2C19CYP2D6MEN1 | |
| SCHEMBL1643927 | 0.80 | ALDH1A1 (0.76) | ALDH1A1KMT2ACYP2C19MEN1TSHR | |
| SCHEMBL1646962 | 0.80 | ALDH1A1 (0.76) | ALDH1A1KMT2ACYP2C19CYP2D6MEN1 | |
| SCHEMBL6175296 | 0.79 | ALDH1A1 (0.74) | ALDH1A1KMT2ACYP2C19CYP2D6MEN1 | |
| SCHEMBL3224693 | 0.78 | NPC1 (0.63) | ALDH1A1KMT2AMEN1LMNAL3MBTL1 |
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 |