Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.59 |
| ▸ | CA12 | O43570 | 2/20 | 0.59 |
| ▸ | CA1 | P00915 | 2/20 | 0.59 |
| ▸ | CA2 | P00918 | 2/20 | 0.59 |
| ▸ | CA7 | P43166 | 2/20 | 0.59 |
| ▸ | CA9 | Q16790 | 2/20 | 0.59 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.59 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.59 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.56 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.56 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.56 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.56 |
| ▸ | KDR | P35968 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL34633 | 0.92 | ADRB2 (0.64) | ESR1CA12CA1CA2CA7 | |
| SCHEMBL30830422 | 0.90 | ADRB2 (0.62) | ESR1CA12CA1CA2CA7 | |
| SCHEMBL156746 | 0.90 | ADRB2 (0.62) | ESR1CA12CA1CA2CA7 | |
| Paraben SCHEMBL26132615 | 0.89 | MAPT (0.64) | ESR1CA12CA1CA2CA7 | |
| Ethylparaben SCHEMBL5971569 | 0.89 | CA12 (0.77) | ESR1CA12CA1CA2CA7 | |
| SCHEMBL17912404 | 0.87 | ADRB2 (0.59) | ESR1CA12CA1CA2CA7 | |
| Propylparaben SCHEMBL1200262 | 0.86 | ESR1 (0.78) | ESR1CA12CA1CA2CA7 | |
| SCHEMBL110051 | 0.84 | ALDH1A1 (0.64) | ESR1CA12CA1CA2CA7 | |
| Isopropyl 4-Hydroxybenzoate SCHEMBL7660367 | 0.84 | CA12 (0.74) | ESR1CA12CA1CA2CA7 | |
| SCHEMBL31414971 | 0.84 | ADRB2 (0.56) | ESR1CA12CA1CA2CA7 |
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-2040555-A2 | FORMULATED TICK AND INSECT REPELLENT COMPOSITIONS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2009-04-01 | — | — | EP | disclosed |
| WO-2007133683-A2 | FORMULATED TICK AND INSECT REPELLENT COMPOSITIONS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2007-11-22 | — | — | WO | disclosed |