Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | CPT2 | P23786 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | ACLY | P53396 | 1/20 | 0.35 |
| ▸ | ACACB | O00763 | 1/20 | 0.34 |
| ▸ | ACACA | Q13085 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | TBXAS1 | P24557 | 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 | |
|---|---|---|---|---|
| SCHEMBL4792336 | 0.91 | FFAR1 (0.39) | ALDH1A1TP53TSHRFFAR1CPT2 | |
| SCHEMBL2706293 | 0.85 | ARG2 (0.37) | ALDH1A1TP53TSHRFFAR1 | |
| SCHEMBL2703490 | 0.77 | — | — | |
| SCHEMBL9620360 | 0.72 | ACLY (0.43) | ALDH1A1TP53TSHRFFAR1CPT2 | |
| SCHEMBL9620386 | 0.72 | FFAR1 (0.39) | TSHRFFAR1CPT2TDP1ACLY | |
| SCHEMBL9620660 | 0.72 | ACLY (0.43) | ALDH1A1TP53TSHRFFAR1CPT2 | |
| SCHEMBL31728592 | 0.72 | — | — | |
| SCHEMBL10618386 | 0.72 | FFAR1 (0.39) | TSHRFFAR1CPT2TDP1ACLY | |
| SCHEMBL9620466 | 0.72 | FFAR1 (0.39) | TSHRFFAR1CPT2TDP1ACLY | |
| SCHEMBL9060464 | 0.72 | ACLY (0.43) | ALDH1A1TP53TSHRFFAR1CPT2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0279978-B1 | PHARMACEUTICAL COMPOSITIONS CONTAINING ALPHA-HALOGENATED DICARBOXYLIC ACIDS | Epis S.A. (CH) | 1992-01-02 | — | — | EP | disclosed |
| US-4908385-A | Pharmaceuticals | EPIS S.A. (CH) | 1990-03-13 | — | — | US | disclosed |
| EP-0279978-A1 | Pharmaceutical compositions containing alpha-halogenated dicarboxylic acids | Epis S.A. (CH) | 1988-08-31 | — | — | EP | disclosed |
| WO-1988002746-A1 | MEDICAMENTS CONTAINING ALPHA-HALOGENATED DICARBOXYLIC ACIDS | EPIS S.A. (CH) | 1988-04-21 | — | — | WO | disclosed |