Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACLY | P53396 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | ACACB | O00763 | 1/20 | 0.41 |
| ▸ | ACACA | Q13085 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | CPT2 | P23786 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.35 |
| ▸ | ARG1 | P05089 | 2/20 | 0.32 |
| ▸ | ARG2 | P78540 | 1/20 | 0.32 |
| ▸ | ODC1 | P11926 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | PMP22 | Q01453 | 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 | |
|---|---|---|---|---|
| SCHEMBL9620360 | 1.00 | ACLY (0.43) | ACLYTSHRALDH1A1TP53ACACB | |
| SCHEMBL9620660 | 1.00 | ACLY (0.43) | ACLYTSHRALDH1A1TP53ACACB | |
| SCHEMBL9620785 | 1.00 | ACLY (0.43) | ACLYTSHRALDH1A1TP53ACACB | |
| SCHEMBL9620703 | 0.97 | TSHR (0.44) | ACLYTSHRALDH1A1TP53ACACB | |
| SCHEMBL7619935 | 0.90 | ACLY (0.38) | ACLYTSHRALDH1A1TP53ACACB | |
| SCHEMBL7615278 | 0.88 | ACLY (0.36) | ACLYTSHRALDH1A1TP53ACACB | |
| SCHEMBL7618722 | 0.88 | ACLY (0.45) | ACLYTSHRALDH1A1TP53ACACB | |
| SCHEMBL658156 | 0.88 | SMPD1 (0.45) | TSHRALDH1A1FFAR1TDP1 | |
| SCHEMBL7615256 | 0.88 | ACLY (0.36) | ACLYTSHRALDH1A1TP53ACACB | |
| SCHEMBL7618921 | 0.88 | ACLY (0.36) | ACLYTSHRALDH1A1TP53ACACB |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1996011901-A1 | NOVEL α,α,α',α'-TETRACHLOROBICARBOXYLIC ACIDS, PROCESS FOR PRODUCING THEM AND MEDICAMENTS CONTAINING THEM | BOEHRINGER MANNHEIM GMBH (DE) | 1996-04-25 | — | — | WO | disclosed |
| 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 |