Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 7/20 | 0.60 |
| ▸ | EDNRA | P25101 | 2/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.50 |
| ▸ | EGFR | P00533 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | NAMPT | P43490 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.46 |
| ▸ | F2 | P00734 | 1/20 | 0.46 |
| ▸ | F12 | P00748 | 1/20 | 0.46 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.46 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.46 |
| ▸ | EDNRB | P24530 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.45 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28684990 | 0.82 | HDAC1 (0.60) | PTGS2EDNRACYP3A4NPC1RAB9A | |
| SCHEMBL15647894 | 0.79 | PTGS2 (0.83) | PTGS2PTGS1EGFRCYP3A4NAMPT | |
| SCHEMBL8997269 | 0.78 | FLT1 (0.60) | PTGS2PTGS1AGTR1AGTR2 | |
| SCHEMBL29551608 | 0.77 | PTGS2 (0.66) | PTGS2PTGS1EGFRCYP3A4LMNA | |
| SCHEMBL31723079 | 0.76 | PIM1 (0.50) | PTGS2EDNRANAMPTEDNRB | |
| SCHEMBL10718560 | 0.76 | PTGS2 (1.00) | PTGS2PTGS1EGFRCYP3A4LMNA | |
| SCHEMBL1873326 | 0.75 | EDNRA (0.53) | PTGS2EDNRACYP3A4NAMPTEDNRB | |
| SCHEMBL11291071 | 0.75 | PTGS2 (0.55) | PTGS2EDNRACYP3A4NAMPTLMNA | |
| SCHEMBL30863682 | 0.75 | PTGS2 (0.55) | PTGS2EDNRACYP3A4NAMPTLMNA | |
| SCHEMBL9515762 | 0.74 | P4HTM (0.49) | NPC1RAB9AHDAC1HDAC6AGTR1 |
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-2017095751-A1 | COMPOSITIONS AND METHODS FOR MODULATING CANCER CELL METABOLISM | PARTIKULA LLC (US) | 2017-06-08 | — | — | WO | disclosed |