Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | NCF1 | P14598 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | NSD2 | O96028 | 1/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7486790 | 0.90 | NCF1 (0.48) | KDM4EALDH1A1MAPTNCF1CYP3A4 | |
| SCHEMBL8907456 | 0.84 | NCF1 (0.50) | KDM4EALDH1A1MAPTNCF1CYP3A4 | |
| SCHEMBL8907416 | 0.83 | NCF1 (0.46) | KDM4EALDH1A1MAPTNCF1CYP3A4 | |
| SCHEMBL16154381 | 0.80 | KDM4E (0.47) | KDM4EALDH1A1MAPTNCF1CYP3A4 | |
| SCHEMBL8909054 | 0.80 | NCF1 (0.46) | KDM4EALDH1A1MAPTNCF1CYP3A4 | |
| SCHEMBL8907421 | 0.79 | NCF1 (0.52) | KDM4EALDH1A1MAPTNCF1CYP3A4 | |
| Water SCHEMBL8907275 | 0.79 | NCF1 (0.44) | KDM4EALDH1A1MAPTNCF1CYP3A4 | |
| SCHEMBL22190019 | 0.78 | ALDH1A1 (0.49) | KDM4EALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL1253268 | 0.77 | MAPT (0.48) | KDM4EALDH1A1MAPTNCF1CYP3A4 | |
| SCHEMBL8907233 | 0.76 | LOXL2 (0.44) | ALDH1A1MAPTNCF1CYP3A4LOXL2 |
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-2771332-B1 | Thiophen and thiazol sulfonamid derivatives as HIV protease inhibitors for the treatment of AIDS | MERCK CANADA INC (CA) | 2016-06-29 | — | — | EP | disclosed |