Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 2/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.31 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.31 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.31 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6792694 | 0.79 | CYP3A4 (0.38) | CYP3A4TDP1ALDH1A1TSHRESR1 | |
| SCHEMBL6789949 | 0.77 | KCNN4 (0.40) | CYP3A4TDP1ALDH1A1TSHRESR1 | |
| SCHEMBL5716111 | 0.70 | DNM1 (0.33) | — | |
| SCHEMBL9777482 | 0.67 | CYP3A4 (0.45) | CYP3A4TDP1ALDH1A1TSHRESR1 | |
| SCHEMBL35092 | 0.67 | CYP3A4 (0.45) | CYP3A4TDP1ALDH1A1ESR1ESR2 | |
| SCHEMBL7809129 | 0.67 | KCNN4 (0.31) | CYP3A4TDP1KCNN4 | |
| SCHEMBL6800934 | 0.67 | KCNN4 (0.35) | CYP3A4TDP1KCNN4 | |
| SCHEMBL6792024 | 0.67 | CYP3A4 (0.35) | CYP3A4TDP1ALDH1A1TSHRKCNN4 | |
| SCHEMBL7934432 | 0.65 | CYP3A4 (0.43) | CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL22749132 | 0.65 | CYP3A4 (0.43) | CYP3A4TDP1ESR1ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0284170-B1 | PROCESS FOR THE PREPARATION OF A DIESTER OF ADIPIC ACID | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1991-10-16 | — | — | EP | disclosed |
| US-4861912-A | Process for the preparation of a diester of adipic acid | SHELL OIL COMPANY (US) | 1989-08-29 | — | — | US | disclosed |
| EP-0284170-A1 | Process for the preparation of a diester of adipic acid | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1988-09-28 | — | — | EP | disclosed |