Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.41 |
| ▸ | CA2 | P00918 | 4/20 | 0.41 |
| ▸ | CA12 | O43570 | 3/20 | 0.41 |
| ▸ | CA9 | Q16790 | 3/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL10694248 | 0.87 | CA12 (0.48) | CA1CA2CA12CA9CA14 | |
| SCHEMBL28285992 | 0.84 | ALDH1A1 (0.44) | CA1CA2CA12CA9CA14 | |
| Ether SCHEMBL4222947 | 0.76 | HSPB1 (0.56) | CA1CA2CA12CA9CA14 | |
| Ether SCHEMBL10629947 | 0.75 | KCNJ1 (0.40) | CA1CA2CA12CA9CA14 | |
| Ether SCHEMBL4868795 | 0.75 | POLB (0.57) | CA1CA2CA12CA9CA14 | |
| Ether SCHEMBL10634405 | 0.69 | ESR1 (0.54) | MAPTKDM4ELMNAAKR1C3ALDH1A1 | |
| SCHEMBL11712010 | 0.69 | ALDH1A1 (0.50) | PTGS2MAPTKDM4ELMNAALDH1A1 | |
| SCHEMBL13009600 | 0.69 | MAPT (0.53) | MAPTKDM4ELMNAALDH1A1AR | |
| Fluoromethane SCHEMBL28260001 | 0.68 | HSD17B10 (0.61) | CA1CA2CA12CA9CA14 | |
| SCHEMBL5025416 | 0.68 | MAPT (0.51) | MAPTKDM4ELMNAAKR1C3AKR1C2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4743703-A | Herbicidal 4-fluoroalkyl-4'-nitrodiphenyl ethers | ROHM AND HAAS COMPANY (US) | 1988-05-10 | — | — | US | disclosed |
| US-4743703-A | Herbicidal 4-fluoroalkyl-4'-nitrodiphenyl ethers | ROHM AND HAAS COMPANY (US) | 1988-05-10 | — | — | US | disclosed |