Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.46 |
| ▸ | MMP12 | P39900 | 1/20 | 0.46 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | PAM | P19021 | 1/20 | 0.44 |
| ▸ | PPARA | Q07869 | 3/20 | 0.43 |
| ▸ | PPARD | Q03181 | 2/20 | 0.43 |
| ▸ | PPARG | P37231 | 2/20 | 0.43 |
| ▸ | HTR2A | P28223 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5306720 | 0.83 | MMP1 (0.51) | MMP1MMP2MMP9MMP12CACNA1B | |
| SCHEMBL827613 | 0.83 | MMP1 (0.51) | MMP1MMP2MMP9MMP12CACNA1B | |
| SCHEMBL827614 | 0.83 | MMP1 (0.51) | MMP1MMP2MMP9MMP12CACNA1B | |
| SCHEMBL22752013 | 0.81 | MEN1 (0.41) | PPARAPPARGNPC1ALDH1A1MAPT | |
| SCHEMBL17633998 | 0.80 | MMP1 (0.49) | MMP1MMP2MMP9MMP12CACNA1B | |
| SCHEMBL27608442 | 0.79 | TSHR (0.56) | MMP1MMP2MMP9MMP12CACNA1B | |
| SCHEMBL356661 | 0.77 | MMP1 (0.49) | MMP1MMP2MMP9MMP12CACNA1B | |
| SCHEMBL14763825 | 0.77 | MMP1 (0.49) | MMP1MMP2MMP9MMP12CACNA1B | |
| SCHEMBL356660 | 0.77 | MMP1 (0.49) | MMP1MMP2MMP9MMP12CACNA1B | |
| SCHEMBL1158019 | 0.76 | MMP1 (0.51) | MMP1MMP2MMP9MMP12CACNA1B |
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-4613457-A | COSMETICS, CLEANING COMPOUNDS BEGETABLE ODOR | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1986-09-23 | — | — | US | claimed |
| EP-0120274-B1 | ESTERS OF 2-METHYLPENTANOIC ACID, THEIR PREPARATION AND USE AS FLAVOURING COMPOUNDS, AND FLAVOURING COMPOSITIONS CONTAINING THESE COMPOUNDS | Henkel Kommanditgesellschaft auf Aktien (DE) | 1986-09-17 | — | — | EP | claimed |
| EP-0120274-A1 | Esters of 2-methylpentanoic acid, their preparation and use as flavouring compounds, and flavouring compositions containing these compounds | Henkel Kommanditgesellschaft auf Aktien (DE) | 1984-10-03 | — | — | EP | claimed |
| US-4613457-A | COSMETICS, CLEANING COMPOUNDS BEGETABLE ODOR | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1986-09-23 | — | — | US | disclosed |
| EP-0120274-A1 | Esters of 2-methylpentanoic acid, their preparation and use as flavouring compounds, and flavouring compositions containing these compounds | Henkel Kommanditgesellschaft auf Aktien (DE) | 1984-10-03 | — | — | EP | disclosed |