Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | MCL1 | Q07820 | 4/20 | 0.51 |
| ▸ | RXRA | P19793 | 1/20 | 0.49 |
| ▸ | RXRB | P28702 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | PRKAB2 | O43741 | 2/20 | 0.48 |
| ▸ | PRKAG1 | P54619 | 2/20 | 0.48 |
| ▸ | PRKAA2 | P54646 | 2/20 | 0.48 |
| ▸ | PRKAA1 | Q13131 | 2/20 | 0.48 |
| ▸ | PRKAG3 | Q9UGI9 | 2/20 | 0.48 |
| ▸ | PRKAG2 | Q9UGJ0 | 2/20 | 0.48 |
| ▸ | PRKAB1 | Q9Y478 | 2/20 | 0.48 |
| ▸ | ACACB | O00763 | 2/20 | 0.47 |
| ▸ | ACACA | Q13085 | 2/20 | 0.47 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.46 |
| ▸ | BCL2 | P10415 | 1/20 | 0.46 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.46 |
| ▸ | FFAR4 | Q5NUL3 | 4/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7529439 | 0.92 | ALDH1A1 (0.61) | ALDH1A1KMT2AMCL1RXRARXRB | |
| SCHEMBL592412 | 0.91 | ALDH1A1 (0.59) | ALDH1A1KMT2AMCL1RXRARXRB | |
| SCHEMBL2597797 | 0.85 | ALDH1A1 (0.57) | ALDH1A1KMT2AMCL1RXRARXRB | |
| SCHEMBL8984347 | 0.83 | ALDH1A1 (0.66) | ALDH1A1KMT2AMCL1RXRARXRB | |
| SCHEMBL4081642 | 0.80 | ALDH1A1 (1.00) | ALDH1A1KMT2AMCL1RXRARXRB | |
| SCHEMBL8765488 | 0.80 | KDM4E (0.63) | ALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL13280463 | 0.80 | ALDH1A1 (0.47) | ALDH1A1KMT2AMCL1RXRARXRB | |
| SCHEMBL6492074 | 0.80 | ALDH1A1 (0.61) | ALDH1A1KMT2AMCL1RXRARXRB | |
| SCHEMBL7591657 | 0.79 | SMN1; SMN2 (0.75) | ALDH1A1SMN1; SMN2PRKAB2PRKAG1PRKAA2 | |
| SCHEMBL9418424 | 0.78 | ALDH1A1 (0.51) | ALDH1A1KMT2AMCL1RXRARXRB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0598756-B1 | ESTER COMPOSITION | SHELL INT RESEARCH (NL) | 1996-06-05 | — | — | EP | disclosed |
| US-5332858-A | Esterification with active phenolic ether and chloroformyl group and active phenol | SHELL OIL COMPANY (US) | 1994-07-26 | — | — | US | disclosed |
| EP-0598756-A1 | ESTER COMPOSITION. | SHELL INT RESEARCH (NL) | 1994-06-01 | — | — | EP | disclosed |
| WO-1993002038-A1 | ESTER COMPOSITION | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 1993-02-04 | — | — | WO | disclosed |