Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | CPA1 | P15085 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 2/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL4345243 | 0.96 | CES1 (0.48) | CES1ALDH1A1L3MBTL1THRBCPA1 | |
| Trifluoroacetic Acid SCHEMBL27262357 | 0.92 | CES1 (0.46) | CES1ALDH1A1L3MBTL1THRBCPA1 | |
| Trifluoroacetic Acid SCHEMBL28190443 | 0.92 | CES1 (0.46) | CES1ALDH1A1L3MBTL1THRBCPA1 | |
| Trifluoroacetic Acid SCHEMBL27977143 | 0.92 | CES1 (0.46) | CES1ALDH1A1L3MBTL1THRBCPA1 | |
| Trifluoroacetic Acid SCHEMBL8715508 | 0.92 | — | — | |
| Trifluoroacetic Acid SCHEMBL7166778 | 0.92 | ALDH1A1 (0.42) | CES1ALDH1A1L3MBTL1THRBTSHR | |
| Trifluoroacetic Acid SCHEMBL7814389 | 0.88 | ALDH1A1 (0.44) | CES1ALDH1A1L3MBTL1THRBTSHR | |
| Trifluoroacetic Acid SCHEMBL30657022 | 0.88 | — | — | |
| Trifluoroacetic Acid SCHEMBL4598430 | 0.88 | — | — | |
| Trifluoroacetic Acid SCHEMBL474 | 0.88 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109526219-A | Benzsulfamide and its purposes as therapeutic agent | 泽农医药公司 | 2019-03-26 | — | — | CN | disclosed |