Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.55 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.40 |
| ▸ | HTR3B | O95264 | 1/20 | 0.40 |
| ▸ | HTR3A | P46098 | 1/20 | 0.40 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.40 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.40 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | ELANE | P08246 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL26345894 | 0.83 | PARP1 (0.53) | PARP1HDAC8HDAC6ACHESMN1; SMN2 | |
| SCHEMBL20632312 | 0.81 | PARP1 (0.52) | PARP1HDAC8HDAC6ACHESMN1; SMN2 | |
| SCHEMBL18902608 | 0.81 | PARP1 (0.52) | PARP1HDAC8HDAC6ACHESMN1; SMN2 | |
| SCHEMBL18175060 | 0.78 | PARP1 (0.62) | PARP1HDAC8HDAC6ACHESMN1; SMN2 | |
| SCHEMBL20246507 | 0.77 | PARP1 (0.55) | PARP1SMN1; SMN2HTR3EHTR3BHTR3A | |
| SCHEMBL20246585 | 0.77 | PARP1 (0.55) | PARP1HDAC6SMN1; SMN2KCNK3MEN1 | |
| SCHEMBL24045986 | 0.76 | PARP1 (0.46) | PARP1HDAC8HDAC6ACHESMN1; SMN2 | |
| SCHEMBL19036467 | 0.76 | PARP1 (0.53) | PARP1HDAC8HDAC6ACHESMN1; SMN2 | |
| SCHEMBL20997854 | 0.76 | PARP1 (0.53) | PARP1HDAC8HDAC6ACHESMN1; SMN2 | |
| SCHEMBL19156896 | 0.76 | PARP1 (0.53) | PARP1HDAC8HDAC6ACHESMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3083631-B1 | WNT PATHWAY MODULATORS | AGENCY SCIENCE TECH & RES (SG) | 2018-06-13 | — | — | EP | disclosed |
| EP-3083622-B1 | MALEIMIDE DERIVATIVES AS MODULATORS OF WNT PATHWAY | AGENCY SCIENCE TECH & RES (SG) | 2018-03-21 | — | — | EP | disclosed |