Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14326319 | 1.00 | KLK5 (0.42) | KLK5PTPN1ALDH1A1THRBCYP2C9 | |
| SCHEMBL14326321 | 0.99 | KLK5 (0.43) | KLK5PTPN1ALDH1A1THRBCYP2C9 | |
| SCHEMBL13318926 | 0.92 | KLK5 (0.45) | KLK5PTPN1 | |
| SCHEMBL30278724 | 0.92 | KLK5 (0.45) | KLK5PTPN1 | |
| SCHEMBL15674296 | 0.92 | KLK5 (0.45) | KLK5PTPN1 | |
| SCHEMBL14326318 | 0.92 | KLK5 (0.41) | KLK5PTPN1 | |
| SCHEMBL12052841 | 0.87 | PTPN1 (0.48) | PTPN1ALDH1A1THRBCYP2C9CYP2C19 | |
| SCHEMBL8104883 | 0.87 | PTPN1 (0.48) | PTPN1ALDH1A1THRBCYP2C9CYP2C19 | |
| SCHEMBL12605223 | 0.86 | ALDH1A1 (0.55) | PTPN1ALDH1A1THRBCYP2C9CYP2C19 | |
| SCHEMBL23080684 | 0.86 | MDM2 (0.43) | — |
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-8338565-B2 | Macrocyclic compounds for inhibition of tumor necrosis factor alpha | ENSEMBLE THERAPEUTICS CORPORATION (US) | 2012-12-25 | — | — | US | disclosed |