Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | NQO1 | P15559 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Ether SCHEMBL11190535 | 0.82 | HDAC8 (0.38) | HDAC8TSHRNQO1 | |
| Phenylacetylene SCHEMBL28253007 | 0.81 | HDAC8 (0.41) | KDM4ENPSR1HDAC8APPTSHR | |
| Phenylacetylene SCHEMBL28766748 | 0.81 | KDM4E (0.41) | KDM4ENPSR1HDAC8APPTSHR | |
| Phenylacetylene SCHEMBL27523298 | 0.80 | HDAC8 (0.44) | KDM4EHDAC8APPTSHR | |
| Phenylacetylene SCHEMBL4884 | 0.80 | — | — | |
| Phenylacetylene SCHEMBL4297769 | 0.80 | — | — | |
| Phenylacetylene SCHEMBL6891916 | 0.80 | APP (0.53) | HDAC8APPTSHR | |
| Phenylacetylene SCHEMBL1331558 | 0.80 | — | — | |
| Phenylacetylene SCHEMBL1331398 | 0.80 | — | — | |
| Phenylacetylene SCHEMBL1331408 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105906544-B | A kind of S type 3- hydroxyl -3- alkynyl oxidized indole compounds and its synthetic method and application | 上海交通大学 | 2018-11-16 | — | — | CN | disclosed |