Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.37 |
| ▸ | PTAFR | P25105 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.33 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 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 | |
|---|---|---|---|---|
| SCHEMBL8683153 | 0.83 | EGFR (0.39) | PTAFRATMPTPN1ALDH1A1TSHR | |
| SCHEMBL8688180 | 0.75 | TUBB4A (0.38) | ACHEPTAFRPTPN1CYP1A2CYP2C9 | |
| SCHEMBL3674233 | 0.66 | ACHE (0.56) | ACHEATMPTGS2ALDH1A1TSHR | |
| SCHEMBL6070144 | 0.66 | EGFR (0.40) | ACHEPTAFRATMPTPN1ALDH1A1 | |
| SCHEMBL12586888 | 0.64 | ACHE (0.54) | ACHEATMPTGS2ALDH1A1KMT2A | |
| SCHEMBL8465680 | 0.61 | ACHE (0.50) | ACHEALDH1A1CYP3A4 | |
| SCHEMBL9348568 | 0.61 | ACHE (0.50) | ACHEPTGS2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL21715984 | 0.61 | CYP3A4 (0.54) | ACHECYP3A4 | |
| SCHEMBL9352550 | 0.61 | ACHE (0.50) | ACHEPTGS2HTTALDH1A1TSHR | |
| SCHEMBL9352530 | 0.61 | ACHE (0.50) | ACHEATMPTGS2ALDH1A1KMT2A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5731455-A | ALKYL 2-ALKYLACYLACRYLATE CHEMICAL INTERMEDIATE; ANTICHOLESTEROL AGENTS | SHIONOGI & CO., LTD. (JP) | 1998-03-24 | — | — | US | disclosed |
| EP-0597107-B1 | LIGNAN ANALOG, PRODUCTION THEREOF, AND HYPOLIPIDEMIC DRUG | SHIONOGI & CO (JP) | 1996-07-03 | — | — | EP | disclosed |
| US-5502216-A | ANTICHOLESTEROL | SHIONOGI & CO., LTD. (JP) | 1996-03-26 | — | — | US | disclosed |
| EP-0701991-A1 | Process for the preparation of lignin analogues and starting materials therefor | SHIONOGI & CO., LTD. (JP) | 1996-03-20 | — | — | EP | disclosed |
| US-5449814-A | Dehydration; Michael condensation | SHIONOGI & CO., LTD. (JP) | 1995-09-12 | — | — | US | disclosed |
| US-5420333-A | Hydroxy ketone compounds | SHIONOGI & CO., LTD. (JP) | 1995-05-30 | — | — | US | disclosed |
| EP-0597107-A1 | LIGNAN ANALOG, PRODUCTION THEREOF, AND HYPOLIPIDEMIC DRUG | SHIONOGI & CO., LTD. (JP) | 1994-05-18 | — | — | EP | disclosed |