Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 7/20 | 0.41 |
| ▸ | MET | P08581 | 1/20 | 0.41 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.41 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.41 |
| ▸ | IRAK4 | Q9NWZ3 | 3/20 | 0.40 |
| ▸ | IKBKB | O14920 | 1/20 | 0.40 |
| ▸ | WEE1 | P30291 | 1/20 | 0.39 |
| ▸ | MELK | Q14680 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 2/20 | 0.39 |
| ▸ | HTR1D | P28221 | 2/20 | 0.39 |
| ▸ | HTR1B | P28222 | 2/20 | 0.39 |
| ▸ | HTR2C | P28335 | 2/20 | 0.39 |
| ▸ | HTR7 | P34969 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL23359890 | 0.80 | IKBKB (0.39) | HTR6METPDE3BPDE3AIRAK4 | |
| Hydrochloric Acid SCHEMBL29862566 | 0.80 | HTR6 (0.48) | HTR6HTR1AHTR1DHTR1BHTR2C | |
| SCHEMBL7105363 | 0.78 | IKBKB (0.43) | HTR6IKBKBWEE1HRH3 | |
| SCHEMBL17240113 | 0.77 | MAPT (0.47) | IRAK4MELKMEN1KMT2A | |
| SCHEMBL6509125 | 0.76 | MALT1 (0.56) | HTR6METPDE3BPDE3AIRAK4 | |
| Hydrochloric Acid SCHEMBL23360376 | 0.76 | HTR6 (0.47) | HTR6METPDE3BPDE3AHRH3 | |
| Hydrochloric Acid SCHEMBL1872170 | 0.75 | MALT1 (0.55) | HTR6METPDE3BPDE3AIRAK4 | |
| Hydrochloric Acid SCHEMBL23359869 | 0.75 | MALT1 (0.55) | HTR6METPDE3BPDE3AIRAK4 | |
| SCHEMBL29863032 | 0.75 | MET (0.39) | METIRAK4CCNT1BRD4ATAD2 | |
| SCHEMBL29863507 | 0.75 | MET (0.39) | METIRAK4CCNT1BRD4ATAD2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2944637-B1 | NITROGEN-CONTAINING HETEROCYLIC COMPOUND OR SALT THEREOF | FUJIFILM CORP (JP) | 2020-02-19 | — | — | EP | disclosed |
| US-9783536-B2 | Nitrogen-containing heterocyclic compound or salt thereof | FUJIFILM CORPORATION (JP) | 2017-10-10 | — | — | US | disclosed |