Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC2 | Q92769 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.47 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | CNR1 | P21554 | 1/20 | 0.46 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2091285 | 0.93 | HDAC2 (0.54) | HDAC2HDAC8HDAC6NPC1NPSR1 | |
| SCHEMBL18361885 | 0.91 | NPC1 (0.56) | NPC1NPSR1CA12CA1CA2 | |
| SCHEMBL18850970 | 0.90 | SIGMAR1 (0.51) | NPSR1SIGMAR1PAOXKDM4EDRD2 | |
| SCHEMBL18850972 | 0.88 | DRD2 (0.53) | NPSR1SIGMAR1PAOXKDM4EDRD2 | |
| SCHEMBL84810 | 0.87 | NPC1 (0.61) | NPC1NPSR1CA12CA1CA2 | |
| SCHEMBL13306274 | 0.87 | — | — | |
| SCHEMBL4781902 | 0.87 | NPSR1 (0.60) | HDAC2HDAC8HDAC6NPC1NPSR1 | |
| SCHEMBL18824247 | 0.86 | HDAC2 (0.49) | HDAC2HDAC8HDAC6NPC1NPSR1 | |
| SCHEMBL84855 | 0.85 | NPC1 (0.64) | NPC1NPSR1CA12CA1CA2 | |
| SCHEMBL8139355 | 0.85 | NPC1 (0.64) | NPC1NPSR1CA12CA1CA2 |
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-2017075694-A1 | ANTIBIOTIC COMPOUNDS, PHARMACEUTICAL FORMULATIONS THEREOF AND METHODS AND USES THEREFOR | SIMON FRASER UNIVERSITY (CA) | 2017-05-11 | — | — | WO | disclosed |