Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 8/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 7/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 7/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.38 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL27588567 | 0.78 | CYP3A4 (0.50) | CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1 | |
| SCHEMBL27606385 | 0.78 | HRH3 (0.39) | LOXL2HRH3 | |
| SCHEMBL721736 | 0.71 | CYP17A1 (0.61) | CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1 | |
| SCHEMBL13873567 | 0.69 | CYP17A1 (0.65) | CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1 | |
| SCHEMBL27588582 | 0.68 | MAOB (0.43) | CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1 | |
| SCHEMBL27588592 | 0.68 | PNMT (0.40) | CYP3A4LOXL2ALDH1A1SMN1; SMN2 | |
| SCHEMBL27606468 | 0.68 | ENPP2 (0.44) | CYP3A4ALDH1A1CYP1A2HSD17B10MAPT | |
| SCHEMBL14257671 | 0.64 | CYP17A1 (0.54) | CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1 | |
| SCHEMBL27606464 | 0.63 | PNMT (0.36) | LOXL2 | |
| SCHEMBL9512609 | 0.62 | CALM1 (0.67) | CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |