Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 3/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.40 |
| ▸ | CES2 | O00748 | 2/20 | 0.40 |
| ▸ | CES1 | P23141 | 2/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | PTAFR | P25105 | 1/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24914456 | 0.77 | CES2 (0.47) | PTGS1PTGS2CES2CES1PARP1 | |
| SCHEMBL12831681 | 0.71 | CES2 (0.52) | PTGS1PTGS2CES2CES1PARP1 | |
| SCHEMBL6862739 | 0.70 | CES2 (0.56) | PTGS1PTGS2CES2CES1PARP1 | |
| SCHEMBL20467598 | 0.70 | CES2 (0.50) | PTGS1PTGS2CES2CES1PARP1 | |
| SCHEMBL13059672 | 0.70 | CES2 (0.55) | PTGS1PTGS2CES2CES1PARP1 | |
| SCHEMBL10749612 | 0.69 | MEN1 (0.34) | CES2CES1KMT2AMAPTMEN1 | |
| SCHEMBL26016289 | 0.69 | CES2 (0.39) | PTGS1PTGS2CES2CES1PARP1 | |
| SCHEMBL6472416 | 0.68 | CES2 (0.70) | PTGS1PTGS2CES2CES1PARP1 | |
| SCHEMBL26354124 | 0.68 | CES2 (0.42) | PTGS1CES2CES1PARP1KMT2A | |
| SCHEMBL19265018 | 0.67 | MAPT (0.41) | PTGS1PTGS2CES2CES1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3466418-A1 | COMPOSITIONS AND METHODS FOR MODULATING METABOLIC PATHWAYS | NuSirt Sciences, Inc. (US) | 2019-04-10 | — | — | EP | disclosed |