Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC2 | Q92769 | 3/20 | 0.55 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.55 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.52 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.52 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.52 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.49 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | WDR5 | P61964 | 7/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | KMO | O15229 | 1/20 | 0.36 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.36 |
| ▸ | HMOX1 | P09601 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12781800 | 0.84 | PDCD1 (0.52) | HDAC2HDAC1TLR9TLR8TLR7 | |
| Hydrochloric Acid SCHEMBL19664801 | 0.83 | PDCD1 (0.51) | HDAC2HDAC1TLR9TLR8TLR7 | |
| SCHEMBL15933432 | 0.82 | PDCD1 (0.57) | HDAC2HDAC1TLR9TLR8TLR7 | |
| SCHEMBL15933525 | 0.81 | PDCD1 (0.52) | HDAC2HDAC1TLR9TLR8TLR7 | |
| SCHEMBL15933686 | 0.81 | NPC1 (0.61) | HDAC2HDAC1TLR9TLR8TLR7 | |
| SCHEMBL10747985 | 0.80 | PDCD1 (0.53) | HDAC2HDAC1TLR9TLR8TLR7 | |
| SCHEMBL505942 | 0.80 | PDCD1 (0.57) | HDAC2HDAC1TLR9TLR8TLR7 | |
| SCHEMBL929109 | 0.80 | PDCD1 (0.48) | HDAC2HDAC1TLR9TLR8TLR7 | |
| SCHEMBL15933440 | 0.78 | PDCD1 (0.59) | HDAC2HDAC1TLR9TLR8TLR7 | |
| SCHEMBL10747141 | 0.78 | PDCD1 (0.52) | HDAC2HDAC1TLR9TLR8TLR7 |
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-3252059-A1 | ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE | Medshine Discovery Inc. (CN) | 2017-12-06 | — | — | EP | disclosed |