Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LPAR3 | Q9UBY5 | 8/20 | 0.40 |
| ▸ | LPAR2 | Q9HBW0 | 6/20 | 0.40 |
| ▸ | LPAR1 | Q92633 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MPI | P34949 | 1/20 | 0.33 |
| ▸ | TPI1 | P60174 | 2/20 | 0.32 |
| ▸ | PGK1 | P00558 | 1/20 | 0.31 |
| ▸ | PGK2 | P07205 | 1/20 | 0.31 |
| ▸ | LPAR5 | Q9H1C0 | 1/20 | 0.31 |
| ▸ | FBP1 | P09467 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20193278 | 0.87 | LPAR3 (0.48) | LPAR3LPAR2LPAR1CYP3A4TSHR | |
| SCHEMBL8904061 | 0.87 | LPAR3 (0.48) | LPAR3LPAR2LPAR1CYP3A4TSHR | |
| SCHEMBL20580710 | 0.87 | LPAR3 (0.48) | LPAR3LPAR2LPAR1CYP3A4TSHR | |
| SCHEMBL29010076 | 0.85 | ALDH1A1 (0.60) | ALDH1A1LPAR3LPAR2LPAR1MPI | |
| SCHEMBL991756 | 0.85 | — | — | |
| SCHEMBL27590175 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL11424377 | 0.82 | ALDH1A1 (0.57) | ALDH1A1LPAR3LPAR2LPAR1MPI | |
| Phosphoric Acid SCHEMBL27536489 | 0.82 | ALDH1A1 (0.57) | ALDH1A1LPAR3LPAR2LPAR1MPI | |
| SCHEMBL18632655 | 0.82 | — | — | |
| SCHEMBL27658317 | 0.82 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3350160-B1 | MIXTURES OF AMPHOTERIC BETAINE COMPOUNDS AND AN ENZYMIC PROCESS FOR THEIR PRODUCTION | EASTMAN CHEM CO (US) | 2021-05-26 | — | — | EP | claimed |
| EP-0528113-B1 | Method of preparing flame-retarding expandable poly-phenylene ether/polystyrene graft copolymers | GEN ELECTRIC (US) | 1996-10-23 | — | — | EP | disclosed |
| EP-0528113-A1 | Method of preparing flame-retarding expandable poly-phenylene ether/polystyrene graft copolymers | GENERAL ELECTRIC COMPANY (US) | 1993-02-24 | — | — | EP | disclosed |