Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.40 |
| ▸ | ALPL | P05186 | 1/20 | 0.40 |
| ▸ | XIAP | P98170 | 1/20 | 0.40 |
| ▸ | NT5E | P21589 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14143902 | 0.76 | PARP1 (0.52) | PARP1HDAC6SMN1; SMN2KMT2AKCNK3 | |
| SCHEMBL24426635 | 0.76 | PARP1 (0.43) | PARP1HDAC8HDAC6ACHEHPGD | |
| SCHEMBL3759037 | 0.74 | PARP1 (0.54) | PARP1HDAC8HDAC6ACHEHPGD | |
| SCHEMBL13862756 | 0.73 | CA12 (0.46) | PARP1KMT2ATDP1MAPTPOLB | |
| SCHEMBL20998029 | 0.73 | PARP1 (0.48) | PARP1HDAC8HDAC6ACHESMN1; SMN2 | |
| SCHEMBL24711679 | 0.73 | PARP1 (0.48) | PARP1HDAC8HDAC6ACHEHPGD | |
| SCHEMBL1411275 | 0.72 | PARP1 (0.63) | PARP1HDAC8HDAC6ACHEHPGD | |
| SCHEMBL14344773 | 0.72 | PARP1 (0.52) | PARP1HDAC8HDAC6ACHEHPGD | |
| SCHEMBL18175060 | 0.72 | PARP1 (0.62) | PARP1HDAC8HDAC6ACHEHPGD | |
| SCHEMBL27669104 | 0.72 | PARP1 (0.62) | PARP1HDAC8HDAC6HPGDSMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2681205-B1 | BIARYL DERIVATIVES AS SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 2 INHIBITORS | UNIV SAARLAND (DE) | 2016-11-16 | — | — | EP | disclosed |