Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 3/20 | 0.61 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.61 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 5/20 | 0.36 |
| ▸ | DRD3 | P35462 | 2/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | HTR7 | P34969 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | DRD5 | P21918 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL31663910 | 0.77 | HDAC1 (0.79) | HDAC1HDAC6HDAC8MEN1KMT2A | |
| SCHEMBL19278659 | 0.77 | HDAC1 (0.79) | HDAC1HDAC6HDAC8MEN1KMT2A | |
| SCHEMBL19278555 | 0.76 | HDAC6 (1.00) | HDAC1HDAC6HDAC8 | |
| SCHEMBL6006023 | 0.73 | HDAC1 (0.43) | HDAC1HDAC6HDAC8DRD2DRD3 | |
| SCHEMBL3347702 | 0.73 | HDAC1 (0.49) | HDAC1HDAC6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL31033192 | 0.71 | HDAC1 (0.45) | HDAC1HDAC6BCHEKDM1ADRD2 | |
| SCHEMBL4701494 | 0.71 | HDAC6 (0.41) | HDAC1HDAC6HDAC8DRD2DRD3 | |
| SCHEMBL4698629 | 0.70 | HDAC1 (0.46) | HDAC1HDAC6BCHEKDM1AMAPK1 | |
| SCHEMBL7004709 | 0.70 | NOTUM (0.64) | HDAC1HDAC6BCHEKDM1AMAPK1 | |
| SCHEMBL30667212 | 0.70 | NOTUM (0.64) | HDAC1HDAC6BCHEKDM1AMAPK1 |
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-2009106534-A1 | NOVEL HETEROCYCLIC CARBOXAMIDES AS M1 AGONISTS | H. LUNDBECK A/S (DK) | 2009-09-03 | — | — | WO | disclosed |
| WO-2009106534-A1 | NOVEL HETEROCYCLIC CARBOXAMIDES AS M1 AGONISTS | H. LUNDBECK A/S (DK) | 2009-09-03 | — | — | WO | disclosed |