Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP8 | P22894 | 2/20 | 0.41 |
| ▸ | CYP4F2 | P78329 | 3/20 | 0.39 |
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | PKM | P14618 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | MGAM | O43451 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17213422 | 0.80 | MMP8 (0.44) | MMP8CYP4F2CYP4A11ALDH1A1PKM | |
| SCHEMBL19199679 | 0.78 | MMP8 (0.43) | MMP8CYP4F2CYP4A11ALDH1A1PKM | |
| SCHEMBL27354793 | 0.76 | ALDH1A1 (0.42) | MMP8CYP4F2CYP4A11ALDH1A1PKM | |
| SCHEMBL27963882 | 0.75 | — | — | |
| SCHEMBL14828611 | 0.73 | MMP8 (0.40) | MMP8CYP4F2CYP4A11ALDH1A1PKM | |
| SCHEMBL637901 | 0.72 | — | — | |
| SCHEMBL18377487 | 0.72 | MMP8 (0.39) | MMP8CYP4F2CYP4A11ALDH1A1PKM | |
| SCHEMBL27380366 | 0.70 | — | — | |
| SCHEMBL4676451 | 0.70 | — | — | |
| SCHEMBL28004331 | 0.70 | ALDH1A1 (0.46) | MMP8CYP4F2CYP4A11ALDH1A1PKM |
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-2015164573-A1 | PURINE DERIVATIVES AS CD73 INHIBITORS FOR THE TREATMENT OF CANCER | VITAE PHARMACEUTICALS, INC. (US) | 2015-10-29 | — | — | WO | disclosed |