Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 8/20 | 0.62 |
| ▸ | CES1 | P23141 | 5/20 | 0.62 |
| ▸ | CES2 | O00748 | 5/20 | 0.62 |
| ▸ | MEN1 | O00255 | 2/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.56 |
| ▸ | PPARG | P37231 | 4/20 | 0.52 |
| ▸ | PPARD | Q03181 | 4/20 | 0.52 |
| ▸ | PPARA | Q07869 | 4/20 | 0.52 |
| ▸ | TSHR | P16473 | 3/20 | 0.52 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.52 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.52 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.52 |
| ▸ | TLR2 | O60603 | 1/20 | 0.52 |
| ▸ | ESR1 | P03372 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Tridecane SCHEMBL27500702 | 1.00 | FAAH (0.62) | FAAHCES1CES2MEN1KMT2A | |
| Decane SCHEMBL3416451 | 1.00 | FAAH (0.62) | FAAHCES1CES2MEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL28781369 | 1.00 | FAAH (0.62) | FAAHCES1CES2MEN1KMT2A | |
| Dodecane SCHEMBL30416006 | 1.00 | FAAH (0.62) | FAAHCES1CES2MEN1KMT2A | |
| Undecane SCHEMBL3628539 | 1.00 | FAAH (0.62) | FAAHCES1CES2MEN1KMT2A | |
| Nonane SCHEMBL4255344 | 1.00 | FAAH (0.62) | FAAHCES1CES2MEN1KMT2A | |
| Heptane SCHEMBL3935940 | 1.00 | FAAH (0.62) | FAAHCES1CES2MEN1KMT2A | |
| Octane SCHEMBL1123657 | 1.00 | FAAH (0.62) | FAAHCES1CES2MEN1KMT2A | |
| Octane SCHEMBL1696265 | 1.00 | FAAH (0.62) | FAAHCES1CES2MEN1KMT2A | |
| Heptane SCHEMBL28333176 | 1.00 | FAAH (0.62) | FAAHCES1CES2MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1648873-A4 | NEUROPROTECTIVE MACROCYLIC COMPOUNDS AND METHODS FOR THEIR USE | NEUREN PHARMACEUTICALS LTD (NZ) | 2008-06-25 | — | — | EP | disclosed |
| EP-1648873-A2 | NEUROPROTECTIVE MACROCYLIC COMPOUNDS AND METHODS FOR THEIR USE | Neuronz Limited (NZ) | 2006-04-26 | — | — | EP | disclosed |
| WO-2004084809-A2 | NEUROPROTECTIVE MACROCYLIC COMPOUNDS AND METHODS FOR THEIR USE | NEUREN PHARMACEUTICALS LTD. (NZ) | 2004-10-07 | — | — | WO | disclosed |