Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.38 |
| ▸ | ADH5 | P11766 | 7/20 | 0.36 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MITF | O75030 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 2/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 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 | |
|---|---|---|---|---|
| SCHEMBL10364581 | 0.77 | CYP3A4 (0.41) | CYP3A4BAZ2BADH5TBXAS1HTT | |
| SCHEMBL10365545 | 0.77 | CYP3A4 (0.47) | CYP3A4BAZ2BADH5TBXAS1HTT | |
| SCHEMBL8828166 | 0.77 | CYP3A4 (0.36) | CYP3A4BAZ2BADH5TBXAS1HTT | |
| SCHEMBL10365503 | 0.75 | CYP3A4 (0.40) | CYP3A4BAZ2BADH5TBXAS1HTT | |
| SCHEMBL10363602 | 0.73 | CYP3A4 (0.41) | CYP3A4BAZ2BADH5TBXAS1HTT | |
| SCHEMBL10645502 | 0.71 | STING1 (0.39) | CYP3A4BAZ2BADH5TBXAS1HTT | |
| SCHEMBL10648270 | 0.69 | TBXAS1 (0.40) | CYP3A4BAZ2BADH5TBXAS1HTT | |
| SCHEMBL10651014 | 0.67 | TBXAS1 (0.48) | CYP3A4BAZ2BADH5TBXAS1HTT | |
| SCHEMBL14307267 | 0.66 | CYP3A4 (0.46) | CYP3A4BAZ2BHTTMEN1MAPT | |
| SCHEMBL8828392 | 0.66 | TBXAS1 (0.41) | CYP3A4BAZ2BADH5TBXAS1HTT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5607953-A | ANTIISCHEMIC AGENTS | EISAI CO., LTD. (JP) | 1997-03-04 | — | — | US | disclosed |
| EP-0344577-B1 | Butenoic or propenoic acid derivatives | EISAI CO LTD (JP) | 1996-10-09 | — | — | EP | disclosed |
| US-5382595-A | Antiischemic agents | EISAI CO., LTD. (JP) | 1995-01-17 | — | — | US | disclosed |
| EP-0344577-A2 | Butenoic or propenoic acid derivatives | Eisai Co., Ltd. (JP) | 1989-12-06 | — | — | EP | disclosed |