Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CPT2 | P23786 | 1/20 | 0.47 |
| ▸ | ACLY | P53396 | 1/20 | 0.47 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HMGCR | P04035 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL11066742 | 0.85 | CPT2 (0.36) | CPT2ACLYHSPD1BLMHSPE1 | |
| SCHEMBL8439897 | 0.75 | ACLY (0.55) | CPT2ACLYHSPD1BLMHSPE1 | |
| SCHEMBL8567208 | 0.75 | CPT2 (0.50) | CPT2ACLYHSPD1BLMHSPE1 | |
| SCHEMBL2183672 | 0.74 | ACLY (0.53) | CPT2ACLYHSPD1BLMHSPE1 | |
| SCHEMBL4657489 | 0.74 | ACLY (0.53) | CPT2ACLYHSPD1BLMHSPE1 | |
| SCHEMBL6650860 | 0.69 | CPT2 (0.47) | CPT2ACLYHSPD1BLMHSPE1 | |
| SCHEMBL28404412 | 0.68 | CPT2 (0.42) | CPT2ACLYHSPD1BLMHSPE1 | |
| SCHEMBL17610129 | 0.67 | ACLY (0.59) | CPT2ACLYHSPD1BLMHSPE1 | |
| SCHEMBL721904 | 0.67 | ACLY (0.59) | CPT2ACLYHSPD1BLMHSPE1 | |
| SCHEMBL679467 | 0.67 | ACLY (0.59) | CPT2ACLYHSPD1BLMHSPE1 |
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 |