Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
| ▸ | ALPI | P09923 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | XIAP | P98170 | 1/20 | 0.40 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.40 |
| ▸ | CPA1 | P15085 | 6/20 | 0.38 |
| ▸ | CPA3 | P15088 | 2/20 | 0.38 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.38 |
| ▸ | CPB1 | P15086 | 1/20 | 0.38 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL304065 | 0.78 | CYP1A2 (0.47) | CYP1A2PPARGPPARAALPIPKM | |
| SCHEMBL20394045 | 0.76 | CYP1A2 (0.52) | CYP1A2ALPIPKMPTGS1XIAP | |
| SCHEMBL7440219 | 0.73 | CYP1A2 (0.48) | CYP1A2PPARGPPARAALPIPKM | |
| SCHEMBL15426321 | 0.72 | CYP1A2 (0.55) | CYP1A2ALPIPKMPTGS1XIAP | |
| SCHEMBL66965 | 0.72 | CYP1A2 (0.55) | CYP1A2ALPIPKMPTGS1XIAP | |
| SCHEMBL28382853 | 0.72 | CYP1A2 (0.47) | CYP1A2PPARGPPARAALPIPKM | |
| SCHEMBL673675 | 0.70 | CYP1A2 (0.48) | CYP1A2ALPIPKMPTGS1XIAP | |
| SCHEMBL28743400 | 0.70 | CYP1A2 (0.57) | CYP1A2ALPIPKMPTGS1XIAP | |
| SCHEMBL7270014 | 0.70 | CYP1A2 (0.44) | CYP1A2PPARGPPARAALPIPKM | |
| SCHEMBL5651688 | 0.69 | MMP8 (0.51) | PPARGPKMKDM4EMEN1POLB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0776884-B1 | SUBSTITUTED AMIDE DERIVATIVE | BANYU PHARMA CO LTD (JP) | 2000-01-05 | — | — | EP | disclosed |
| US-5643958-A | ANTITUMOR | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1997-07-01 | — | — | US | disclosed |
| EP-0776884-A1 | SUBSTITUTED AMIDE DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1997-06-04 | — | — | EP | disclosed |