Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 2/20 | 0.56 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.43 |
| ▸ | OGG1 | O15527 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.41 |
| ▸ | NPC1 | O15118 | 7/20 | 0.41 |
| ▸ | RAB9A | P51151 | 7/20 | 0.41 |
| ▸ | MAPT | P10636 | 6/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | G6PD | P11413 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12767846 | 0.76 | ALOX5 (0.56) | ALOX5MCL1HDAC1HDAC8HDAC6 | |
| SCHEMBL5162432 | 0.72 | MCL1 (0.64) | ALOX5MCL1HDAC1HDAC8HDAC6 | |
| SCHEMBL5162360 | 0.70 | ALOX5 (0.49) | ALOX5MCL1HDAC1HDAC8HDAC6 | |
| SCHEMBL13520203 | 0.70 | ALOX5 (0.51) | ALOX5MCL1HDAC1HDAC8HDAC6 | |
| SCHEMBL6299623 | 0.70 | LOXL2 (0.50) | ALOX5MCL1HDAC1HDAC8HDAC6 | |
| SCHEMBL13659606 | 0.69 | MCL1 (0.65) | ALOX5MCL1HDAC1HDAC8HDAC6 | |
| SCHEMBL444722 | 0.67 | MCL1 (1.00) | MCL1HDAC1HDAC8HDAC6CD274 | |
| SCHEMBL29911721 | 0.67 | MCL1 (1.00) | MCL1HDAC1HDAC8HDAC6CD274 | |
| SCHEMBL5237770 | 0.67 | MCL1 (0.57) | ALOX5MCL1HDAC1HDAC8HDAC6 | |
| Hydrochloric Acid SCHEMBL4950639 | 0.66 | MCL1 (0.96) | MCL1HDAC1HDAC8HDAC6CD274 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1340746-B1 | Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives | SALTIGO GMBH (DE) | 2007-02-28 | — | — | EP | disclosed |
| EP-1340746-A1 | Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives | BAYER AG (DE) | 2003-09-03 | — | — | EP | disclosed |