Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.50 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CNR2 | P34972 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | NQO1 | P15559 | 1/20 | 0.45 |
| ▸ | ACACB | O00763 | 5/20 | 0.45 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | ACACA | Q13085 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | PLK1 | P53350 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10796756 | 0.83 | AKR1C3 (0.56) | AKR1C3AKR1C2ALDH1A1CNR2TSHR | |
| Hydrochloric Acid SCHEMBL10915574 | 0.82 | AKR1C3 (0.55) | AKR1C3AKR1C2ALDH1A1CNR2TSHR | |
| SCHEMBL23053351 | 0.80 | AKR1C3 (0.55) | AKR1C3AKR1C2ALDH1A1CNR2POLB | |
| SCHEMBL9427862 | 0.80 | AKR1C3 (0.55) | AKR1C3AKR1C2ALDH1A1CNR2POLB | |
| SCHEMBL9195223 | 0.80 | AKR1C3 (0.55) | AKR1C3AKR1C2ALDH1A1CNR2POLB | |
| SCHEMBL27900571 | 0.79 | CYP2D6 (0.61) | POLBLMNA | |
| SCHEMBL1741211 | 0.78 | AKR1C3 (0.58) | AKR1C3AKR1C2ALDH1A1CNR2POLB | |
| SCHEMBL5909827 | 0.78 | HTT (0.47) | AKR1C3AKR1C2ALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL5613405 | 0.77 | PTGS2 (0.53) | ALDH1A1CYP2C9CYP2C19SMN1; SMN2PTGS2 | |
| SCHEMBL5881684 | 0.76 | AKR1C3 (0.73) | AKR1C3AKR1C2ALDH1A1CNR2CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-4309350-A | CONDENSATION OF PHENYLACETIC ESTER WITH DIALKYL OXALATE IN PRESENCE OF BASIC CATALYST, ACIDIFICATION, HYDROXYMETHYLATION, DEHYDRATION | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) | 1982-01-05 | — | — | US | disclosed |
| US-4262014-A | Insecticidal esters | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) | 1981-04-14 | — | — | US | disclosed |
| US-4220591-A | Insecticidal esters | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) | 1980-09-02 | — | — | US | disclosed |