Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | AHR | P35869 | 3/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.35 |
| ▸ | F10 | P00742 | 1/20 | 0.35 |
| ▸ | F12 | P00748 | 1/20 | 0.35 |
| ▸ | F7 | P08709 | 1/20 | 0.35 |
| ▸ | F3 | P13726 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 4/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.33 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.33 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.33 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.33 |
| ▸ | C1S | P09871 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27909830 | 0.77 | AKR1C3 (0.53) | PKMKMT2ACYP2C9AKR1C3NR4A1 | |
| SCHEMBL28794373 | 0.76 | CYP1A2 (0.52) | CYP1A2F2F10F12F7 | |
| SCHEMBL6530620 | 0.71 | ALDH1A1 (0.50) | TRPA1ALOX5CYP2C9AKR1C3NR4A1 | |
| SCHEMBL6445212 | 0.71 | CYP2C9 (0.53) | AHRTRPA1ALOX5CYP2C9AKR1C3 | |
| SCHEMBL23709160 | 0.69 | NR4A1 (0.57) | CYP1A2KMT2ACYP2C9CYP2D6CYP2C19 | |
| Water SCHEMBL27710341 | 0.69 | ALDH1A1 (0.48) | TRPA1ALOX5CYP2C9AKR1C3NR4A1 | |
| SCHEMBL27710338 | 0.69 | ALDH1A1 (0.48) | TRPA1ALOX5CYP2C9AKR1C3NR4A1 | |
| SCHEMBL31391623 | 0.69 | TRPA1 (0.41) | AHRTRPA1P2RX4KMT2AALOX5 | |
| SCHEMBL50746 | 0.69 | HPGD (0.50) | CYP1A2F2F10F12F7 | |
| SCHEMBL27411702 | 0.68 | F2 (0.58) | CYP1A2F2F10F12F7 |
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 |