Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | SYK | P43405 | 3/20 | 0.48 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.46 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | APP | P05067 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9820200 | 0.80 | NPC1 (0.46) | HDAC6MAPTALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL12507458 | 0.78 | KMT2A (0.62) | HDAC6RAPGEF4ABCG2MAPTTP53 | |
| SCHEMBL1317961 | 0.73 | HDAC6 (1.00) | HDAC6CYP3A4TSHRSYKRAPGEF4 | |
| SCHEMBL12579765 | 0.73 | NPC1 (0.75) | ALDH1A1LMNASMN1; SMN2NPC1RAB9A | |
| SCHEMBL30026816 | 0.72 | CYP3A4 (0.86) | HDAC6CYP3A4TSHRSYKRAPGEF4 | |
| SCHEMBL1389429 | 0.72 | CYP3A4 (0.86) | HDAC6CYP3A4TSHRSYKRAPGEF4 | |
| SCHEMBL1318150 | 0.71 | HDAC6 (0.62) | HDAC6CYP3A4TSHRSYKRAPGEF4 | |
| SCHEMBL1319475 | 0.70 | TP53 (0.71) | HDAC6CYP3A4TSHRSYKRAPGEF4 | |
| SCHEMBL23794884 | 0.70 | NPC1 (0.54) | HDAC6RAPGEF4MAPTTP53ALDH1A1 | |
| SCHEMBL13302358 | 0.70 | CYP3A4 (0.82) | HDAC6CYP3A4TSHRSYKRAPGEF4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3876933-A1 | NEUTROPHIL INFLAMMATION INHIBITOR AND USES THEREOF | Chang Gung University of Science and Technology (TW) | 2021-09-15 | — | — | EP | disclosed |