Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 2/20 | 0.47 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | CCNC | P24863 | 3/20 | 0.45 |
| ▸ | CDK8 | P49336 | 3/20 | 0.45 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | GLA | P06280 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19257584 | 0.91 | HSD17B1 (0.48) | HSD17B1HSD17B2CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL19257279 | 0.90 | HSD17B1 (0.47) | HSD17B1HSD17B2CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL19257540 | 0.90 | HDAC8 (0.43) | HSD17B2MAOBGAAMTNR1AMTNR1B | |
| SCHEMBL19257539 | 0.88 | JUN (0.49) | HSD17B1HSD17B2CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL19257718 | 0.85 | MAOB (0.48) | HSD17B1HSD17B2CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL38659157 | 0.82 | HDAC8 (0.44) | HSD17B2MAOBGAAMTNR1AMTNR1B | |
| SCHEMBL19257274 | 0.82 | HDAC8 (0.44) | HSD17B2MAOBGAAMTNR1AMTNR1B | |
| SCHEMBL19257286 | 0.82 | HSD17B1 (0.42) | HSD17B1HSD17B2CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL19257209 | 0.81 | HDAC8 (0.44) | CCNCCDK8MAOBKDM4EALDH1A1 | |
| SCHEMBL19257278 | 0.80 | HSD17B1 (0.46) | HSD17B1HSD17B2CYP3A4CYP1A2CYP2D6 |
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-2017134146-A1 | GPBP INHIBITORS AND USES AND SCALEABLE SYNTHESIS THEREOF | FIBROSTATIN, S.L. (ES) | 2017-08-10 | — | — | WO | disclosed |