Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | MMP8 | P22894 | 1/20 | 0.37 |
| ▸ | ACP3 | P15309 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | MDM4 | O15151 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | TDO2 | P48775 | 1/20 | 0.35 |
| ▸ | IDO2 | Q6ZQW0 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5679986 | 0.72 | CASP1 (0.56) | CASP1PIN1ALDH1A1TSHRMMP8 | |
| SCHEMBL7109215 | 0.71 | NPC1 (0.52) | PIN1ALDH1A1TSHRMMP8SMN1; SMN2 | |
| SCHEMBL6076118 | 0.70 | PIN1 (0.44) | CASP1PIN1ALDH1A1TSHRMMP8 | |
| SCHEMBL578529 | 0.70 | ALDH1A1 (0.56) | PIN1ALDH1A1TSHRMMP8CYP1A2 | |
| SCHEMBL27774182 | 0.69 | MMP8 (0.44) | PIN1ALDH1A1TSHRMMP8SMN1; SMN2 | |
| SCHEMBL11069746 | 0.69 | PIN1 (0.49) | PIN1ALDH1A1TSHRMMP8SMN1; SMN2 | |
| SCHEMBL8998830 | 0.69 | PIN1 (0.45) | PIN1ALDH1A1TSHRMMP8MDM4 | |
| SCHEMBL5861445 | 0.69 | CASP1 (0.59) | CASP1PIN1ALDH1A1TSHRMMP8 | |
| SCHEMBL8102772 | 0.69 | CASP1 (0.49) | CASP1TSHRMMP8ACP3SMN1; SMN2 | |
| SCHEMBL4632797 | 0.68 | CASP1 (0.70) | CASP1PIN1ALDH1A1TSHRMMP8 |
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 |