Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ALDH5A1 | P51649 | 2/20 | 0.33 |
| ▸ | ABAT | P80404 | 2/20 | 0.33 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.32 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.32 |
| ▸ | AHR | P35869 | 2/20 | 0.32 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.32 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.32 |
| ▸ | KIF11 | P52732 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23775788 | 0.87 | ALDH1A1 (0.59) | ALDH1A1HSD17B10TDP1CYP2A6PTGS2 | |
| SCHEMBL6489263 | 0.81 | ALDH1A1 (0.53) | ALDH1A1HSD17B10TDP1CYP2A6PTGS2 | |
| SCHEMBL2456367 | 0.73 | PTPRC (0.38) | PTGS2RAB9AAHR | |
| SCHEMBL18536089 | 0.72 | CYP2A6 (0.55) | ALDH1A1HSD17B10TDP1CYP2A6RAB9A | |
| SCHEMBL9874879 | 0.70 | MAOB (0.40) | ALDH1A1KDM4E | |
| SCHEMBL22863710 | 0.70 | ALDH1A1 (0.50) | ALDH1A1HSD17B10TDP1CYP2A6PTGS2 | |
| SCHEMBL7187760 | 0.70 | CYP3A4 (0.45) | ALDH1A1TDP1KDM4EHPGD | |
| SCHEMBL5711966 | 0.70 | MAPT (0.42) | ALDH1A1HSD17B10TDP1KDM4ERAB9A | |
| SCHEMBL2798568 | 0.70 | ALDH1A1 (0.55) | ALDH1A1HSD17B10TDP1CYP2A6PTGS2 | |
| SCHEMBL23501057 | 0.68 | ALDH1A1 (0.53) | ALDH1A1HSD17B10TDP1CYP2A6PTGS2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1304924-A2 | COMPOSITIONS FOR REPELLING CRAWLING INSECTS | Bayer Aktiengesellschaft (DE) | 2003-05-02 | — | — | EP | disclosed |
| WO-2002005646-A2 | COMPOSITIONS FOR REPELLING CRAWLING INSECTS | S.C. JOHNSON & SON, INC. (US) (US) | 2002-01-24 | — | — | WO | disclosed |