Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | NLRP3 | Q96P20 | 4/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MPI | P34949 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | MGAM | O43451 | 1/20 | 0.30 |
| ▸ | SI | P14410 | 1/20 | 0.30 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3271132 | 1.00 | TSHR (0.35) | TSHRNLRP3KMT2AGAAALDH1A1 | |
| SCHEMBL3271234 | 0.90 | ALDH1A1 (0.39) | KMT2AGAAALDH1A1HPGDLMNA | |
| SCHEMBL3271237 | 0.90 | ALDH1A1 (0.39) | KMT2AGAAALDH1A1HPGDLMNA | |
| SCHEMBL3277489 | 0.71 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL3277486 | 0.71 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL7041913 | 0.69 | GLO1 (0.39) | TSHRKMT2AGAAALDH1A1HPGD | |
| SCHEMBL25547583 | 0.69 | GLO1 (0.39) | TSHRKMT2AGAAALDH1A1HPGD | |
| SCHEMBL2174701 | 0.65 | GAA (0.50) | TSHRNLRP3GAAALDH1A1LMNA | |
| SCHEMBL30494447 | 0.64 | MGAM (0.55) | TSHRNLRP3KMT2AGAAALDH1A1 | |
| SCHEMBL16090829 | 0.63 | ALDH1A1 (0.34) | ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7687452-B2 | 2-(3,3-dimethylcyclohexyl)propionic acid ethoxycarbonylmethyl ester; 1,5,5-trimethylspiro[2.5]octane-1-carboxylic acid ethoxycarbonylmethyl ester; new powerful musk odorants | GIVAUDAN SA (CH) | 2010-03-30 | — | — | US | disclosed |
| EP-1743013-B1 | ALICYCLIC CARBOXYLIC ACID OXYCARBONYLMETHYL ESTERS AND THEIR USE AS ODORANTS | GIVAUDAN SA (CH) | 2007-12-19 | — | — | EP | disclosed |
| US-20070225201-A1 | Organic Compounds | GIVAUDAN SA (CH) | 2007-09-27 | — | — | US | disclosed |
| EP-1743013-A1 | ALICYCLIC CARBOXYLIC ACID OXYCARBONYLMETHYL ESTERS AND THEIR USE AS ODORANTS | Givaudan SA (CH) | 2007-01-17 | — | — | EP | disclosed |
| WO-2005108534-A1 | ALICYCLIC CARBOXYLIC ACID OXYCARBONYLMETHYL ESTERS AND THEIR USE AS ODORANTS | GIVAUDAN SA (CH) | 2005-11-17 | — | — | WO | disclosed |