Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 10/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.41 |
| ▸ | PDE2A | O00408 | 4/20 | 0.40 |
| ▸ | AKT1 | P31749 | 2/20 | 0.39 |
| ▸ | AKT2 | P31751 | 2/20 | 0.39 |
| ▸ | AKT3 | Q9Y243 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL681358 | 1.00 | TRPV1 (0.42) | TRPV1EPHX2PDE2AAKT1AKT2 | |
| SCHEMBL681291 | 0.91 | EPHX2 (0.41) | EPHX2PDE2AAKT1AKT2AKT3 | |
| SCHEMBL680793 | 0.91 | EPHX2 (0.41) | EPHX2PDE2AAKT1AKT2AKT3 | |
| SCHEMBL680194 | 0.87 | MC4R (0.42) | EPHX2PDE2AALDH1A1 | |
| SCHEMBL679699 | 0.87 | MC4R (0.42) | EPHX2PDE2AALDH1A1 | |
| SCHEMBL679705 | 0.86 | PDE2A (0.39) | EPHX2PDE2AAKT1AKT2AKT3 | |
| SCHEMBL680794 | 0.86 | PDE2A (0.39) | EPHX2PDE2AAKT1AKT2AKT3 | |
| SCHEMBL12168920 | 0.85 | LMNA (0.46) | TRPV1KMT2AALDH1A1 | |
| SCHEMBL12168921 | 0.85 | LMNA (0.46) | TRPV1KMT2AALDH1A1 | |
| SCHEMBL680142 | 0.84 | SIGMAR1 (0.41) | TRPV1AKT1AKT2AKT3KMT2A |
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-8063050-B2 | Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors | ARRAY BIOPHARMA INC. (US) | 2011-11-22 | — | — | US | disclosed |