Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 2/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 2/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.32 |
| ▸ | PRKACA | P17612 | 1/20 | 0.32 |
| ▸ | PRKACG | P22612 | 1/20 | 0.32 |
| ▸ | PRKACB | P22694 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 5/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14720972 | 0.78 | HRH3 (0.42) | HDAC1HDAC6HDAC5RXRAGRIN1 | |
| SCHEMBL13278903 | 0.74 | PTPN1 (0.56) | HDAC6SLC6A2SLC6A3HPGDPTPN1 | |
| SCHEMBL4273423 | 0.72 | LTA4H (0.47) | HDAC1HDAC6HDAC5SLC6A2SLC6A3 | |
| SCHEMBL14720429 | 0.68 | HPGD (0.47) | HTR2CHTR2BPRKACAPRKACGPRKACB | |
| SCHEMBL18991965 | 0.68 | IGF1R (0.47) | HTR2CHPGD | |
| SCHEMBL14720582 | 0.68 | HRH3 (0.37) | HTR2CPRKACAPRKACGPRKACB | |
| SCHEMBL14720535 | 0.68 | HRH3 (0.36) | HTR2CPRKACAPRKACGPRKACBHPGD | |
| Hydrochloric Acid SCHEMBL4887847 | 0.67 | OGA (0.36) | HTR2CHTR2BPRKACAPRKACGPRKACB | |
| SCHEMBL20587570 | 0.65 | OGA (0.40) | HTR2CHPGD | |
| SCHEMBL1382507 | 0.65 | HTR2C (0.52) | HTR2CHTR2BPRKACAPRKACGPRKACB |
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-2013027001-A1 | COMPOUNDS AND THEIR USE TO TREAT HISTAMINE H3 RELATED DISORDERS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-02-28 | — | — | WO | disclosed |