Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B3 | P37058 | 1/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.32 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.31 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.31 |
| ▸ | TMPRSS2 | O15393 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19370702 | 0.88 | ESR2 (0.41) | — | |
| SCHEMBL19370821 | 0.85 | ESR1 (0.44) | NAMPTTMPRSS2 | |
| SCHEMBL26003508 | 0.83 | AKR1C3 (0.35) | NAMPTMEN1KMT2ATP53NPC1 | |
| SCHEMBL19370918 | 0.83 | SCN9A (0.39) | HSD17B3NAMPTBAZ2B | |
| SCHEMBL19370874 | 0.79 | NOTUM (0.39) | NAMPTMEN1KMT2ACARM1 | |
| SCHEMBL25997931 | 0.74 | KRAS (0.36) | NAMPTMEN1KMT2ASLC6A3TP53 | |
| SCHEMBL24692266 | 0.71 | NR1H2 (0.37) | NR1H2 | |
| SCHEMBL22317736 | 0.70 | TNF (0.42) | MEN1KMT2ATP53NPC1RAB9A | |
| SCHEMBL27113705 | 0.70 | MMP1 (0.33) | — | |
| SCHEMBL24616867 | 0.68 | HSD17B3 (0.42) | HSD17B3NR1H2 |
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-2017161119-A1 | SMALL MOLECULES AGAINST CEREBLON TO ENHANCE EFFECTOR T CELL FUNCTION | H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. (US) | 2017-09-21 | — | — | WO | disclosed |