Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 7/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MLYCD | O95822 | 2/20 | 0.36 |
| ▸ | ACACB | O00763 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 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 | |
|---|---|---|---|---|
| SCHEMBL20004334 | 0.82 | HPGD (0.47) | HDAC6CYP1A2CYP3A4GAACYP2D6 | |
| SCHEMBL22537874 | 0.74 | CDK4 (0.49) | HDAC6GAAMLYCDHDAC3HDAC1 | |
| SCHEMBL9873675 | 0.72 | MLYCD (0.53) | HDAC6MLYCDHDAC1ALDH1A1 | |
| SCHEMBL21115241 | 0.72 | NSD2 (0.43) | HDAC6CYP1A2CYP3A4GAACYP2D6 | |
| SCHEMBL22537607 | 0.71 | ALDH1A1 (0.48) | HDAC6CYP1A2CYP3A4GAACYP2D6 | |
| SCHEMBL24904581 | 0.70 | HPGD (0.47) | HDAC6CYP2D6CYP2C9MLYCDACACB | |
| SCHEMBL21147043 | 0.69 | ALDH1A1 (0.47) | ALDH1A1 | |
| SCHEMBL24713185 | 0.68 | HPGD (0.55) | HDAC6CYP2C9HDAC1HDAC4MCHR1 | |
| SCHEMBL20715645 | 0.68 | HPGD (0.51) | HDAC6CYP2C9MLYCDACACBHDAC1 | |
| SCHEMBL23962422 | 0.66 | HPGD (0.60) | HDAC6GAACYP2C9HDAC3HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018055316-A1 | COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2018-03-29 | — | — | WO | disclosed |