Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 6/20 | 0.38 |
| ▸ | ACLY | P53396 | 2/20 | 0.36 |
| ▸ | CPA1 | P15085 | 1/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.34 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | FAAH | O00519 | 3/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
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 SCHEMBL25389207 | 1.00 | CES1 (0.38) | CES1ACLYCPA1HRH4HRH3 | |
| Trifluoroacetic Acid SCHEMBL28097336 | 0.87 | TSHR (0.38) | CES1HRH4HRH3ALDH1A1TSHR | |
| Trifluoroacetic Acid SCHEMBL4345243 | 0.82 | CES1 (0.48) | CES1ACLYCPA1ALDH1A1TSHR | |
| Trifluoroacetic Acid SCHEMBL28190443 | 0.78 | CES1 (0.46) | CES1CPA1ALDH1A1TSHRFAAH | |
| Trifluoroacetic Acid SCHEMBL28280968 | 0.78 | CES1 (0.46) | CES1CPA1ALDH1A1TSHRFAAH | |
| Trifluoroacetic Acid SCHEMBL27977143 | 0.78 | CES1 (0.46) | CES1CPA1ALDH1A1TSHRFAAH | |
| Trifluoroacetic Acid SCHEMBL27262357 | 0.78 | CES1 (0.46) | CES1CPA1ALDH1A1TSHRFAAH | |
| Pyrrole SCHEMBL11344690 | 0.78 | — | — | |
| Pyrrole SCHEMBL11388094 | 0.76 | CA1 (0.36) | TSHR | |
| Oxalic Acid SCHEMBL9047749 | 0.76 | OR51E2 (0.30) | TSHR |
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-2024028795-A1 | HETEROBICYCLIC COMPOUNDS AS ORAL GLP1R AGONISTS | ZYDUS LIFESCIENCES LIMITED (IN) | 2024-02-08 | — | — | WO | disclosed |