Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.49 |
| ▸ | CCR4 | P51679 | 1/20 | 0.37 |
| ▸ | HRH2 | P25021 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | PSEN1 | P49768 | 4/20 | 0.33 |
| ▸ | PSEN2 | P49810 | 4/20 | 0.33 |
| ▸ | APH1B | Q8WW43 | 4/20 | 0.33 |
| ▸ | NCSTN | Q92542 | 4/20 | 0.33 |
| ▸ | APH1A | Q96BI3 | 4/20 | 0.33 |
| ▸ | PSENEN | Q9NZ42 | 4/20 | 0.33 |
| ▸ | EEF2K | O00418 | 1/20 | 0.33 |
| ▸ | LTA4H | P09960 | 1/20 | 0.32 |
| ▸ | MERTK | Q12866 | 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 | |
|---|---|---|---|---|
| SCHEMBL13650570 | 0.92 | HRH4 (0.49) | HRH4HRH3CCR4HRH2SIGMAR1 | |
| SCHEMBL13650568 | 0.84 | HRH3 (0.49) | HRH4HRH3HRH2PSEN1PSEN2 | |
| SCHEMBL13650551 | 0.81 | HRH3 (0.47) | HRH4HRH3HRH2PSEN1PSEN2 | |
| SCHEMBL13650547 | 0.81 | HRH3 (0.48) | HRH4HRH3HRH2PSEN1PSEN2 | |
| SCHEMBL13650572 | 0.81 | HRH3 (0.46) | HRH4HRH3HRH2SIGMAR1CYP2D6 | |
| SCHEMBL13650550 | 0.81 | HRH3 (0.46) | HRH4HRH3HRH2PSEN1PSEN2 | |
| SCHEMBL13650569 | 0.78 | HRH3 (0.47) | HRH4HRH3HRH2SIGMAR1EEF2K | |
| SCHEMBL13650553 | 0.78 | HRH3 (0.46) | HRH4HRH3HRH2PSEN1PSEN2 | |
| SCHEMBL13650508 | 0.78 | HRH3 (0.68) | HRH4HRH3CCR4HRH2CYP2D6 | |
| SCHEMBL13650500 | 0.78 | HRH4 (0.65) | HRH4HRH3HRH2CYP2D6CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-8436005-B2 | Macrocyclic pyrimidine derivatives | ABBOTT LABORATORIES (US) | 2013-05-07 | — | — | US | disclosed |
| WO-2009123967-A1 | 5,6,7,8-TETRAHYDROQUINAZOLIN-2-AMINE DERIVATIVES AND RELATED COMPOUNDS AS HISTAMINE H4 RECEPTOR MODULATORS FOR THE TREATMENT OF ASTHMA | ABBOTT LABORATORIES (US) | 2009-10-08 | — | — | WO | disclosed |