Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.59 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | CXCR4 | P61073 | 3/20 | 0.50 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.50 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | CHKA | P35790 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | GFER | P55789 | 1/20 | 0.47 |
| ▸ | NCF1 | P14598 | 2/20 | 0.47 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.47 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3694234 | 0.96 | HRH3 (0.65) | HRH3HRH4ALDH1A1KDM4ECXCR4 | |
| SCHEMBL3682326 | 0.94 | HRH3 (0.69) | HRH3HRH4ALDH1A1KDM4EMBTD1 | |
| SCHEMBL3717999 | 0.94 | HRH3 (0.69) | HRH3HRH4ALDH1A1KDM4EMBTD1 | |
| SCHEMBL6057433 | 0.91 | HRH3 (0.69) | HRH3HRH4ALDH1A1KDM4EMBTD1 | |
| SCHEMBL15245367 | 0.88 | CHKA (0.69) | HRH3KDM4ECHKANCF1CA2 | |
| SCHEMBL23086594 | 0.85 | HRH3 (0.45) | HRH3HRH4ALDH1A1KDM4ECXCR4 | |
| SCHEMBL17465271 | 0.84 | CHKA (0.77) | HRH3HRH4KDM4ECHKANCF1 | |
| SCHEMBL1663338 | 0.83 | SIGMAR1 (0.59) | HRH3ALDH1A1CXCR4CYP2C19MEN1 | |
| SCHEMBL7299424 | 0.83 | KDM4E (0.61) | HRH3ALDH1A1KDM4EL3MBTL1MEN1 | |
| SCHEMBL207661 | 0.83 | HRH3 (0.65) | HRH3ALDH1A1SMN1; SMN2 |
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-2012033736-A1 | NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-15 | — | — | WO | disclosed |