Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL7872613 | 0.77 | — | — | |
| SCHEMBL7876091 | 0.62 | CA12 (0.43) | ESR1ESR2 | |
| SCHEMBL7876093 | 0.62 | CA12 (0.43) | ESR1ESR2 | |
| SCHEMBL8437912 | 0.61 | KDM4E (0.69) | ESR1ESR2 | |
| SCHEMBL4302394 | 0.59 | ESR1 (0.59) | ESR1ESR2 | |
| Paraben SCHEMBL8015210 | 0.58 | CA2 (0.42) | — | |
| SCHEMBL901018 | 0.58 | ALDH1A1 (0.65) | ESR1ESR2 | |
| SCHEMBL10533244 | 0.58 | ESR1 (0.58) | ESR1ESR2 | |
| SCHEMBL8335667 | 0.57 | TSHR (0.53) | ESR1ESR2 | |
| 2,4-Dihydroxybenzoic Acid SCHEMBL8019740 | 0.56 | CA12 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000040544-A1 | ALIPHATICALLY UNSATURATED HYDROXY BENZOATES AND PRESERVATIVE COMPOSITIONS THEREOF | ISP INVESTMENTS INC. (US) | 2000-07-13 | — | — | WO | disclosed |