Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 6/20 | 0.59 |
| ▸ | CES2 | O00748 | 5/20 | 0.59 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 5/20 | 0.54 |
| ▸ | THRB | P10828 | 1/20 | 0.54 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.53 |
| ▸ | PPARG | P37231 | 6/20 | 0.53 |
| ▸ | PPARD | Q03181 | 6/20 | 0.53 |
| ▸ | PPARA | Q07869 | 6/20 | 0.53 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | TLR2 | O60603 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | FABP4 | P15090 | 2/20 | 0.53 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.53 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.53 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | ESR1 | P03372 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| Hexane SCHEMBL4790792 | 1.00 | CES1 (0.59) | CES1CES2AKR1B1TSHRTHRB | |
| Hexane SCHEMBL8899207 | 1.00 | CES1 (0.59) | CES1CES2AKR1B1TSHRTHRB | |
| Hexane SCHEMBL114496 | 1.00 | CES1 (0.59) | CES1CES2AKR1B1TSHRTHRB | |
| Hexane SCHEMBL9523905 | 1.00 | CES1 (0.59) | CES1CES2AKR1B1TSHRTHRB | |
| Hexane SCHEMBL16758658 | 1.00 | CES1 (0.59) | CES1CES2AKR1B1TSHRTHRB | |
| Hexane SCHEMBL3823541 | 1.00 | CES1 (0.59) | CES1CES2AKR1B1TSHRTHRB | |
| Hexane SCHEMBL16758654 | 1.00 | CES1 (0.59) | CES1CES2AKR1B1TSHRTHRB | |
| Hexane SCHEMBL16758660 | 1.00 | CES1 (0.59) | CES1CES2AKR1B1TSHRTHRB | |
| Hexane SCHEMBL9523900 | 1.00 | CES1 (0.59) | CES1CES2AKR1B1TSHRTHRB | |
| Hexane SCHEMBL9525906 | 1.00 | CES1 (0.59) | CES1CES2AKR1B1TSHRTHRB |
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-3074382-B1 | PELORUSIDE ANALOGS | UNIV GENT (BE) | 2017-11-15 | — | — | EP | disclosed |
| EP-3074382-A1 | PELORUSIDE ANALOGS | Universiteit Gent (BE) | 2016-10-05 | — | — | EP | disclosed |
| WO-2015079009-A1 | PELORUSIDE ANALOGS | UNIVERSITEIT GENT (BE) | 2015-06-04 | — | — | WO | disclosed |