Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.53 |
| ▸ | MAPT | P10636 | 5/20 | 0.53 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.53 |
| ▸ | PPARG | P37231 | 3/20 | 0.53 |
| ▸ | OXER1 | Q8TDS5 | 3/20 | 0.53 |
| ▸ | RXRA | P19793 | 2/20 | 0.53 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.53 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.50 |
| ▸ | F7 | P08709 | 3/20 | 0.50 |
| ▸ | F3 | P13726 | 3/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | PPARD | Q03181 | 2/20 | 0.50 |
| ▸ | PPARA | Q07869 | 2/20 | 0.50 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.49 |
| ▸ | PGR | P06401 | 1/20 | 0.49 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5728092 | 1.00 | ALDH1A1 (0.53) | ALDH1A1MAPTCYP19A1PPARGOXER1 | |
| SCHEMBL16568217 | 0.92 | ADORA3 (0.55) | ALDH1A1MAPTCYP19A1PPARGOXER1 | |
| SCHEMBL22832723 | 0.92 | ADORA3 (0.55) | ALDH1A1MAPTCYP19A1PPARGOXER1 | |
| SCHEMBL22832722 | 0.92 | ADORA3 (0.55) | ALDH1A1MAPTCYP19A1PPARGOXER1 | |
| Butyric Acid SCHEMBL1866742 | 0.89 | ALDH1A1 (0.50) | ALDH1A1MAPTCYP19A1PPARGOXER1 | |
| Butyric Acid SCHEMBL1866744 | 0.89 | ALDH1A1 (0.50) | ALDH1A1MAPTCYP19A1PPARGOXER1 | |
| SCHEMBL22390233 | 0.85 | ADORA3 (0.49) | ALDH1A1MAPTCYP19A1PPARGOXER1 | |
| SCHEMBL13122914 | 0.85 | ADORA3 (0.67) | ALDH1A1MAPTCYP19A1PPARGOXER1 | |
| SCHEMBL13122830 | 0.85 | ADORA3 (0.67) | ALDH1A1MAPTCYP19A1PPARGOXER1 | |
| SCHEMBL309027 | 0.85 | ADORA3 (0.51) | ALDH1A1MAPTCYP19A1PPARGOXER1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0952142-B1 | Compounds with protected hydroxy groups | GIVAUDAN SA (CH) | 2006-10-18 | — | — | EP | disclosed |
| EP-0887336-B1 | Precursor compounds | GIVAUDAN SA (CH) | 2004-01-07 | — | — | EP | disclosed |
| US-6627763-B2 | As precursors for organoleptic agents, such as fragrances, and masking agents and for antimicrobial agents | GIVAUDAN SA | 2003-09-30 | — | — | US | disclosed |
| US-20020193269-A1 | Compounds having protected hydroxy groups | GIVAUDAN SA, A SWITZERLAND CORPORATION | 2002-12-19 | — | — | US | disclosed |
| US-6479682-B1 | Compounds having protected hydroxy groups | GIVAUDAN SA (CH) | 2002-11-12 | — | — | US | disclosed |
| US-6437150-B1 | WHEN ACTIVATED, THE ESTERS, CARBONATES, OR CARBAMATES ARE CLEAVED TO FORM ONE OR MORE LACTONES AND ORGANOLEPTICS SUCH AS FRAGRANCES, OR MASKING AGENTS, OR ANTIMICROBIAL AGENTS; STABLE UNDER TRANSPORT AND STORAGE CONDITIONS | GIVAUDAN SA (CH) | 2002-08-20 | — | — | US | disclosed |
| US-6207857-B1 | FOR ORGANOLEPTIC AND ANTIMICROBIAL COMPOUNDS GENERATED IN THE PRESENCE OF SKIN BACTERIA, ENZYMES OR ACIDIC OR ALKALINE CONDITIONS | GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) | 2001-03-27 | — | — | US | disclosed |
| EP-0952142-A1 | Compounds with protected hydroxy groups | Givaudan Roure (International) S.A. (CH) | 1999-10-27 | — | — | EP | disclosed |
| EP-0887336-A1 | Precursor Compounds | GIVAUDAN-ROURE (INTERNATIONAL) SA (CH) | 1998-12-30 | — | — | EP | disclosed |