Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.48 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | DRD1 | P21728 | 1/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL10357603 | 0.81 | CYP1A2 (0.57) | CYP1A2ADRB2ADRB1CYP3A4HTR1A | |
| SCHEMBL10993216 | 0.80 | TDP1 (0.56) | CYP1A2ADRB2ADRB1CYP3A4HTR1A | |
| SCHEMBL8793041 | 0.80 | TDP1 (0.56) | CYP1A2ADRB2ADRB1CYP3A4HTR1A | |
| SCHEMBL3796363 | 0.80 | TDP1 (0.56) | CYP1A2ADRB2ADRB1CYP3A4HTR1A | |
| SCHEMBL5272608 | 0.75 | ALDH1A1 (0.52) | CYP1A2ADRB2ADRB1CYP3A4HTR1A | |
| SCHEMBL10357598 | 0.74 | CYP1A2 (0.68) | CYP1A2ADRB2ADRB1CYP3A4HTR1A | |
| SCHEMBL10357599 | 0.73 | ALDH1A1 (0.50) | CYP1A2ADRB2ADRB1CYP3A4HTR1A | |
| SCHEMBL11112482 | 0.72 | SMN1; SMN2 (0.56) | CYP1A2ADRB2ADRB1CYP3A4HTR1A | |
| SCHEMBL10674001 | 0.71 | CYP1A2 (0.56) | CYP1A2ADRB2ADRB1CYP3A4HTR1A | |
| SCHEMBL21814402 | 0.70 | CYP1A2 (0.66) | CYP1A2ADRB2ADRB1CYP3A4HTR1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0167451-B1 | A NEW PROCESS FOR PREPARING NOVEL N-(ACYLOXY-ALKOXY) CARBONYL DERIVATIVES USEFUL AS BIOREVERSIBLE PRODRUG MOIETIES FOR PRIMARY AND SECONDARY AMINE FUNCTIONS IN DRUGS | MERCK & CO. INC. (US) | 1990-10-03 | — | — | EP | claimed |
| EP-0167451-A2 | A new process for preparing novel N-(acyloxy-alkoxy) carbonyl derivatives useful as bioreversible prodrug moieties for primary and secondary amine functions in drugs | MERCK & CO. INC. (US) | 1986-01-08 | — | — | EP | claimed |
| EP-0167451-B1 | A NEW PROCESS FOR PREPARING NOVEL N-(ACYLOXY-ALKOXY) CARBONYL DERIVATIVES USEFUL AS BIOREVERSIBLE PRODRUG MOIETIES FOR PRIMARY AND SECONDARY AMINE FUNCTIONS IN DRUGS | MERCK & CO. INC. (US) | 1990-10-03 | — | — | EP | disclosed |
| US-4916230-A | Process for preparing novel N-(acyloxy-alkoxy)carbonyl derivatives useful as bioreversible prodrug moieties for primary and secondary amine functions in drugs | MERCK & CO., INC. (US) | 1990-04-10 | — | — | US | disclosed |
| US-4760057-A | (Acyloxyalkoxy)carbonyl derivatives as bioreversible prodrug moieties for primary and secondary amine functions in drugs | MERCK & CO., INC. (US) | 1988-07-26 | — | — | US | disclosed |