Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 5/20 | 0.46 |
| ▸ | FAAH | O00519 | 5/20 | 0.46 |
| ▸ | CES2 | O00748 | 3/20 | 0.46 |
| ▸ | PLA2G6 | O60733 | 1/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | GMNN | O75496 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | NOD1 | Q9Y239 | 3/20 | 0.36 |
| ▸ | ICMT | O60725 | 1/20 | 0.35 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.34 |
| ▸ | PLA2G2A | P14555 | 2/20 | 0.33 |
| ▸ | PLA2G5 | P39877 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7763912 | 0.90 | CES1 (0.48) | CES1FAAHCES2PLA2G6EPHX1 | |
| SCHEMBL7763910 | 0.89 | CES1 (0.45) | CES1FAAHCES2PLA2G6EPHX1 | |
| SCHEMBL8015239 | 0.81 | PPARG (0.47) | GMNNTP53POLBMAPTTHRB | |
| SCHEMBL7762822 | 0.80 | GMNN (0.39) | FAAHCES2EPHX1GMNNTP53 | |
| SCHEMBL7757470 | 0.78 | HDAC3 (0.47) | CYP2C9HSD17B10ICMT | |
| SCHEMBL9119016 | 0.76 | ICMT (0.53) | CES1FAAHCES2PLA2G6GMNN | |
| SCHEMBL9545182 | 0.76 | ICMT (0.53) | CES1FAAHCES2PLA2G6GMNN | |
| SCHEMBL9545188 | 0.76 | ICMT (0.53) | CES1FAAHCES2PLA2G6GMNN | |
| SCHEMBL19927712 | 0.76 | ICMT (0.53) | CES1FAAHCES2PLA2G6GMNN | |
| SCHEMBL19927710 | 0.76 | ICMT (0.53) | CES1FAAHCES2PLA2G6GMNN |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6251882-B1 | TREATING LEUKEMIA, BREAST CANCER, PROSTATE CANCER, OR BRAIN TUMOR | PARKER HUGHES INSTITUTE | 2001-06-26 | — | — | US | disclosed |
| EP-1091934-A2 | ALKYL KETONES AS POTENT ANTI-CANCER AGENTS | Parker Hughes Institute (US) | 2001-04-18 | — | — | EP | disclosed |
| WO-2000000469-A2 | ALKYL KETONES AS POTENT ANTI-CANCER AGENTS | PARKER HUGHES INSTITUTE (US) | 2000-01-06 | — | — | WO | disclosed |