Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 8/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | SCN1A | P35498 | 1/20 | 0.36 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.36 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.36 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.36 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL352250 | 0.88 | CYP3A4 (0.53) | CYP3A4ALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL9150522 | 0.88 | CYP3A4 (0.41) | CYP3A4ALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL9678088 | 0.83 | CYP3A4 (0.56) | CYP3A4ALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL30927115 | 0.83 | CYP3A4 (0.56) | CYP3A4ALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL1276072 | 0.80 | CYP3A4 (0.49) | CYP3A4ALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL9148130 | 0.80 | CYP3A4 (0.53) | CYP3A4ALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL9150579 | 0.80 | ALDH1A1 (0.38) | CYP3A4ALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL128215 | 0.78 | CYP3A4 (0.73) | CYP3A4ALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL30927087 | 0.78 | CYP3A4 (0.73) | CYP3A4ALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL9148810 | 0.78 | MEN1 (0.48) | CYP3A4ALDH1A1TSHRMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-5475024-A | Useful in treating liver disease | EISAI CO., LTD. (JP) | 1995-12-12 | — | — | US | disclosed |
| US-5292901-A | Benzodioxole derivatives | EISAI CO., LTD. (JP) | 1994-03-08 | — | — | US | disclosed |
| EP-0281098-B1 | BENZODIOXOLE DERIVATIVES, COMPOSITIONS COMPRISING THE SAME, AND THE USE OF THE SAME FOR THE MANUFACTURE OF MEDICAMENTS | Eisai Co., Ltd. (JP) | 1992-11-25 | — | — | EP | disclosed |
| US-5110956-A | Liver disorders | EISAI CO., LTD. (JP) | 1992-05-05 | — | — | US | disclosed |
| EP-0281098-A1 | Benzodioxole derivatives, compositions comprising the same, and the use of the same for the manufacture of medicaments | Eisai Co., Ltd. (JP) | 1988-09-07 | — | — | EP | disclosed |