Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.64 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.55 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.55 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.55 |
| ▸ | OGG1 | O15527 | 1/20 | 0.54 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 9/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.51 |
| ▸ | CASP1 | P29466 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.50 |
| ▸ | NPC1 | O15118 | 7/20 | 0.50 |
| ▸ | RAB9A | P51151 | 7/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | G6PD | P11413 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL13659606 | 0.86 | MCL1 (0.65) | MCL1HDAC1HDAC8HDAC6OGG1 | |
| SCHEMBL29911721 | 0.79 | MCL1 (1.00) | MCL1HDAC1HDAC8HDAC6OGG1 | |
| SCHEMBL444722 | 0.79 | MCL1 (1.00) | MCL1HDAC1HDAC8HDAC6OGG1 | |
| SCHEMBL2610241 | 0.77 | MCL1 (0.71) | MCL1HDAC1HDAC8HDAC6OGG1 | |
| Hydrochloric Acid SCHEMBL4950639 | 0.77 | MCL1 (0.96) | MCL1HDAC1HDAC8HDAC6OGG1 | |
| SCHEMBL7088656 | 0.77 | MCL1 (0.76) | MCL1HDAC1HDAC8HDAC6OGG1 | |
| SCHEMBL12768191 | 0.76 | HDAC1 (0.68) | MCL1HDAC1HDAC8HDAC6OGG1 | |
| SCHEMBL64428 | 0.75 | MCL1 (0.73) | MCL1HDAC1HDAC8HDAC6OGG1 | |
| SCHEMBL12644102 | 0.75 | MCL1 (0.73) | MCL1HDAC1HDAC8HDAC6OGG1 | |
| SCHEMBL9423020 | 0.74 | HDAC1 (0.61) | MCL1HDAC1HDAC8HDAC6OGG1 |
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 |