Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.43 |
| ▸ | AGXT | P21549 | 2/20 | 0.42 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.41 |
| ▸ | CDK1 | P06493 | 1/20 | 0.41 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | HTR1D | P28221 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7126896 | 0.87 | AGXT (0.46) | SLC6A2SLC6A4AGXTKDM4EMEN1 | |
| SCHEMBL7702048 | 0.87 | HTR1A (0.39) | HDAC1SLC6A2SLC6A4CCNB2CDK1 | |
| SCHEMBL7697654 | 0.84 | NPC1 (0.47) | HDAC1SLC6A2SLC6A4KDM4EMAPT | |
| SCHEMBL7701212 | 0.84 | NPC1 (0.47) | HDAC1SLC6A2SLC6A4KDM4EMAPT | |
| SCHEMBL12370647 | 0.84 | NPC1 (0.47) | HDAC1SLC6A2SLC6A4KDM4EMAPT | |
| SCHEMBL7690100 | 0.84 | NPC1 (0.47) | HDAC1SLC6A2SLC6A4KDM4EMAPT | |
| SCHEMBL7703198 | 0.84 | NPC1 (0.47) | HDAC1SLC6A2SLC6A4KDM4EMAPT | |
| SCHEMBL7689586 | 0.84 | NPC1 (0.47) | HDAC1SLC6A2SLC6A4KDM4EMAPT | |
| SCHEMBL8918756 | 0.83 | ATM (0.50) | — | |
| SCHEMBL24961871 | 0.83 | HDAC1 (0.47) | HDAC1SLC6A2SLC6A4KDM4EMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002024619-A1 | AMINE COMPOUNDS | BTG INTERNATIONAL LIMITED (GB) | 2002-03-28 | — | — | WO | disclosed |