Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | TDO2 | P48775 | 2/20 | 0.42 |
| ▸ | IDO2 | Q6ZQW0 | 2/20 | 0.42 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.41 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.40 |
| ▸ | ACP3 | P15309 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28633131 | 0.85 | SMN1; SMN2 (0.51) | MEN1KMT2ACYP3A4CYP2C19CYP2D6 | |
| SCHEMBL5591170 | 0.83 | CASP1 (0.55) | CASP1MEN1RAB9AKMT2ACYP3A4 | |
| SCHEMBL8116798 | 0.81 | ACP3 (0.47) | CYP2C19CYP2D6IDO1TDO2IDO2 | |
| SCHEMBL9680830 | 0.78 | CYP3A4 (0.48) | MEN1KMT2ACYP3A4CYP2C19CYP2D6 | |
| SCHEMBL512800 | 0.77 | CASP1 (0.48) | CASP1MEN1RAB9AKMT2ACYP3A4 | |
| SCHEMBL29069352 | 0.76 | ALDH1A1 (0.52) | MEN1RAB9AKMT2ACYP3A4CYP2C19 | |
| SCHEMBL2512047 | 0.76 | CYP3A4 (0.49) | CYP3A4CYP2C19CYP2D6SMN1; SMN2CYP4F2 | |
| SCHEMBL16110894 | 0.75 | MEN1 (0.42) | MEN1KMT2ACYP3A4CYP2C19CYP2D6 | |
| SCHEMBL7833020 | 0.75 | CYP4F2 (0.41) | MEN1KMT2ACYP3A4CYP2C19CYP2D6 | |
| SCHEMBL28929694 | 0.75 | TBXAS1 (0.46) | CYP3A4CYP2C19CYP2D6SMN1; SMN2CYP4F2 |
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-0645378-B1 | Condensed seven- or eight-membered heterocyclic compounds useful as squalene synthetase inhibitors | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2000-08-23 | — | — | EP | disclosed |
| US-5698691-A | ANTICHOLESTEROL AGENT; SYNTHETASE INHIBITOR; FUNGICIDE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-12-16 | — | — | US | disclosed |
| EP-0645378-A1 | Condensed seven- or eight-membered heterocyclic compounds useful as squalene synthetase inhibitors | Takeda Chemical Industries, Ltd. (JP) | 1995-03-29 | — | — | EP | disclosed |