Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | SQOR | Q9Y6N5 | 2/20 | 0.35 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.32 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.32 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.32 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.32 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.32 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.32 |
| ▸ | OXER1 | Q8TDS5 | 7/20 | 0.32 |
| ▸ | ADA | P00813 | 4/20 | 0.32 |
| ▸ | PDE2A | O00408 | 3/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL12112267 | 1.00 | GSK3B (0.37) | GSK3BSQORPSEN1PSEN2APH1B | |
| SCHEMBL15214190 | 0.88 | ADA (0.36) | GSK3BADAPDE2ACYP3A4PDE4A | |
| SCHEMBL12112264 | 0.87 | PDE4A (0.36) | GSK3BSQORPDE4APDE4BPDE4C | |
| SCHEMBL28863078 | 0.77 | GSK3B (0.63) | GSK3BADAPDE2ACYP3A4PDE4A | |
| SCHEMBL5468657 | 0.77 | GSK3B (0.63) | GSK3BADAPDE2ACYP3A4PDE4A | |
| SCHEMBL29601253 | 0.69 | HDAC1 (0.44) | GSK3BSQOROXER1ALDH1A1LMNA | |
| SCHEMBL29601213 | 0.69 | HDAC1 (0.42) | GSK3BSQOR | |
| SCHEMBL15214197 | 0.68 | ADORA2A (0.49) | KDM4EALDH1A1CYP1A2HSD17B10TSHR | |
| SCHEMBL5347874 | 0.68 | PNP (0.50) | SQORHSD17B10TSHRBLM | |
| SCHEMBL12112263 | 0.68 | ADORA2A (0.49) | KDM4EALDH1A1CYP1A2HSD17B10TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-8518901-B2 | Fused diimidazodiazepine compounds and methods of use and manufacture thereof | THE JOHNS HOPKINS UNIVERSITY (US) | 2013-08-27 | — | — | US | disclosed |