Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.55 |
| ▸ | CA12 | O43570 | 2/20 | 0.55 |
| ▸ | CA1 | P00915 | 2/20 | 0.55 |
| ▸ | CA2 | P00918 | 2/20 | 0.55 |
| ▸ | CA7 | P43166 | 2/20 | 0.55 |
| ▸ | CA9 | Q16790 | 2/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.51 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.51 |
| ▸ | KDR | P35968 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL11061556 | 0.84 | TDP1 (0.53) | KMT2AALDH1A1TDP1TSHRSLC6A2 | |
| SCHEMBL8397251 | 0.81 | ALDH1A1 (0.55) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6561309 | 0.74 | ESR1 (0.69) | ESR1MEN1KMT2AESR2CA12 | |
| SCHEMBL132567 | 0.74 | ESR1 (0.77) | ESR1MEN1KMT2AESR2CA12 | |
| SCHEMBL11188109 | 0.72 | ESR1 (0.67) | ESR1MEN1KMT2AESR2CA12 | |
| SCHEMBL10759118 | 0.72 | ALDH1A1 (0.63) | MEN1KMT2AALDH1A1TDP1LMNA | |
| Ethylparaben SCHEMBL28368 | 0.71 | CA12 (1.00) | ESR1MEN1KMT2AESR2CA12 | |
| SCHEMBL2880231 | 0.71 | ESR1 (0.79) | ESR1MEN1KMT2AESR2CA12 | |
| Ethylparaben SCHEMBL5311680 | 0.71 | CA12 (1.00) | ESR1MEN1KMT2AESR2CA12 | |
| SCHEMBL30518930 | 0.71 | ESR1 (0.64) | ESR1MEN1KMT2AESR2CA12 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4448906-A | N-HYDROXYMETHY- OR N-CARBOXY METHYLAMALEIDE FOR USE IN PAINTS AS BIOCIDE | NUODEX INC. (US) | 1984-05-15 | — | — | US | disclosed |