Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | PTGER2 | P43116 | 5/20 | 0.40 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.40 |
| ▸ | PTGER3 | P43115 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 3/20 | 0.36 |
| ▸ | NOS2 | P35228 | 3/20 | 0.36 |
| ▸ | NOS3 | P29474 | 2/20 | 0.36 |
| ▸ | TLR4 | O00206 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | PRKCA | P17252 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8964734 | 1.00 | CYP1A2 (0.43) | CYP1A2PTGER2PTGER4PTGER3ALDH1A1 | |
| SCHEMBL8965184 | 1.00 | CYP1A2 (0.43) | CYP1A2PTGER2PTGER4PTGER3ALDH1A1 | |
| SCHEMBL8964738 | 1.00 | CYP1A2 (0.43) | CYP1A2PTGER2PTGER4PTGER3ALDH1A1 | |
| SCHEMBL158776 | 1.00 | CYP1A2 (0.43) | CYP1A2PTGER2PTGER4PTGER3ALDH1A1 | |
| SCHEMBL8600712 | 0.98 | CYP1A2 (0.46) | CYP1A2PTGER2PTGER4PTGER3ALDH1A1 | |
| SCHEMBL1614409 | 0.94 | HTT (0.40) | CYP1A2PTGER2PTGER4PTGER3ALDH1A1 | |
| Acetic Acid SCHEMBL4134829 | 0.92 | PTGER2 (0.44) | CYP1A2PTGER2PTGER4PTGER3ALDH1A1 | |
| Acetic Acid SCHEMBL1482741 | 0.92 | PTGER2 (0.44) | CYP1A2PTGER2PTGER4PTGER3ALDH1A1 | |
| Acetic Acid SCHEMBL18130856 | 0.92 | PTGER2 (0.44) | CYP1A2PTGER2PTGER4PTGER3ALDH1A1 | |
| Acetic Acid Methyl Ester SCHEMBL28101633 | 0.87 | HTT (0.45) | CYP1A2PTGER2PTGER4PTGER3HTT |
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-0513627-B1 | Tetrahydro-alpha-pyrone derivative, method for its preparation and perfume and/or flavouring compositions containing it | GIVAUDAN ROURE INT (CH) | 1996-02-28 | — | — | EP | disclosed |
| US-5248792-A | Flavor, odor | GIVAUDAN-ROURE CORPORATION (US) | 1993-09-28 | — | — | US | disclosed |
| EP-0513627-A1 | Tetrahydro-alpha-pyrone derivative, method for its preparation and perfume and/or flavouring compositions containing it | GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) | 1992-11-19 | — | — | EP | disclosed |