Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | KCNK3 | O14649 | 2/20 | 0.42 |
| ▸ | KCNK9 | Q9NPC2 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | CTSL | P07711 | 2/20 | 0.40 |
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.39 |
| ▸ | HTR3B | O95264 | 1/20 | 0.39 |
| ▸ | HTR3A | P46098 | 1/20 | 0.39 |
| ▸ | HTR3D | Q70Z44 | 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 | |
|---|---|---|---|---|
| SCHEMBL19905889 | 0.80 | CYP2A6 (0.47) | MEN1KMT2A | |
| SCHEMBL12620567 | 0.80 | PARP1 (0.47) | PARP1HDAC8HDAC6SMN1; SMN2KCNK3 | |
| SCHEMBL16366188 | 0.78 | C1S (0.48) | PARP1SMN1; SMN2CTSL | |
| SCHEMBL24689981 | 0.77 | DHODH (0.42) | SMN1; SMN2MEN1KMT2AACHERAB9A | |
| SCHEMBL2945465 | 0.76 | NOS1 (0.40) | PARP1SMN1; SMN2MEN1KMT2APOLB | |
| SCHEMBL441773 | 0.76 | NOS1 (0.40) | PARP1SMN1; SMN2MEN1KMT2APOLB | |
| SCHEMBL14627751 | 0.75 | PARP1 (0.53) | PARP1HDAC8HDAC6SMN1; SMN2KCNK3 | |
| SCHEMBL26234540 | 0.75 | PARP1 (0.59) | PARP1HDAC8HDAC6SMN1; SMN2MEN1 | |
| SCHEMBL23436584 | 0.75 | PARP1 (0.53) | PARP1HDAC8HDAC6SMN1; SMN2KCNK3 | |
| SCHEMBL20350852 | 0.74 | ALDH1A1 (0.38) | SMN1; SMN2MEN1KMT2ARAB9ANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018125983-A1 | OXOPYRIDINE DERIVATIVES USEFUL AS AMINOCARBOXYMUCONATE SEMIALDEHYDE DECARBOXYLASE (ACMSD) INHIBITORS | MITOBRIDGE, INC. (US) | 2018-07-05 | — | — | WO | disclosed |
| EP-2616450-B1 | SULFONAMIDE COMPOUNDS | KANCERA AB (SE) | 2018-05-02 | — | — | EP | disclosed |