Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACLY | P53396 | 5/20 | 0.57 |
| ▸ | CPT2 | P23786 | 1/20 | 0.57 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HMGCR | P04035 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL1672954 | 0.98 | ACLY (0.59) | ACLYCPT2HSPD1BLMHSPE1 | |
| Ammonia Solution, Strong SCHEMBL11158969 | 0.96 | ACLY (0.57) | ACLYCPT2HSPD1BLMHSPE1 | |
| Water SCHEMBL8023706 | 0.96 | ACLY (0.57) | ACLYCPT2HSPD1BLMHSPE1 | |
| SCHEMBL23068539 | 0.76 | ACLY (0.95) | ACLYCPT2HSPD1BLMHSPE1 | |
| SCHEMBL887088 | 0.76 | ACLY (0.95) | ACLYCPT2HSPD1BLMHSPE1 | |
| SCHEMBL23068481 | 0.76 | ACLY (0.95) | ACLYCPT2HSPD1BLMHSPE1 | |
| SCHEMBL2190166 | 0.75 | ACLY (0.64) | ACLYCPT2HSPD1BLMHSPE1 | |
| SCHEMBL28318764 | 0.74 | ACLY (0.57) | ACLYCPT2HSPD1BLMHSPE1 | |
| SCHEMBL17181757 | 0.73 | ACLY (1.00) | ACLYCPT2HSPD1BLMHSPE1 | |
| SCHEMBL721435 | 0.73 | ACLY (1.00) | ACLYCPT2HSPD1BLMHSPE1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4443619-A | MULTISTEP PREPARATION OF MONOPOTASSIUM DIHYDROGEN THREO-EPOXYACONITATE FROM TRANSACONITIC ACID | HOFFMANN-LA ROCHE INC. (US) | 1984-04-17 | — | — | US | disclosed |
| US-4365070-A | B-LACTONE INTERMEDIATES THEREOF, ANORECTIC AGENTS FOR TREATMENT OBESITY | HOFFMANN-LA ROCHE INC. (US) | 1982-12-21 | — | — | US | disclosed |
| US-4354039-A | Chlorocitric acids | HOFFMANN-LA ROCHE INC. (US) | 1982-10-12 | — | — | US | disclosed |
| US-4352758-A | FROM TRANS-ACONITIC ACID | HOFFMANN-LA ROCHE INC. (US) | 1982-10-05 | — | — | US | disclosed |
| US-4340754-A | Process for making chlorocitric acid | HOFFMANN-LA ROCHE INC. (US) | 1982-07-20 | — | — | US | disclosed |
| US-4312885-A | ANORECTIC AGENTS FOR TREATMENT OF OBESITY | HOFFMANN-LA ROCHE INC. (US) | 1982-01-26 | — | — | US | disclosed |