Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Pentane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.56 |
| ▸ | CES2 | O00748 | 5/20 | 0.53 |
| ▸ | CES1 | P23141 | 5/20 | 0.53 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.53 |
| ▸ | PPARG | P37231 | 7/20 | 0.53 |
| ▸ | PPARD | Q03181 | 7/20 | 0.53 |
| ▸ | PPARA | Q07869 | 7/20 | 0.53 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.53 |
| ▸ | PTPN1 | P18031 | 3/20 | 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 |
| ▸ | 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 | |
|---|---|---|---|---|
| Pentane SCHEMBL2047155 | 1.00 | — | — | |
| Pentane SCHEMBL8164715 | 1.00 | TSHR (0.58) | TSHRLMNAAKR1B1CES2CES1 | |
| Pentane SCHEMBL4046165 | 1.00 | TSHR (0.58) | TSHRLMNAAKR1B1CES2CES1 | |
| Pentane SCHEMBL28422642 | 0.96 | TSHR (0.54) | TSHRLMNAAKR1B1CES2CES1 | |
| Pentane SCHEMBL28295749 | 0.96 | TSHR (0.54) | TSHRLMNAAKR1B1CES2CES1 | |
| Pentane SCHEMBL28424709 | 0.96 | TSHR (0.54) | TSHRLMNAAKR1B1CES2CES1 | |
| Pentane SCHEMBL28447741 | 0.96 | TSHR (0.54) | TSHRLMNAAKR1B1CES2CES1 | |
| Pentane SCHEMBL28451792 | 0.96 | TSHR (0.54) | TSHRLMNAAKR1B1CES2CES1 | |
| Pentane SCHEMBL28425556 | 0.93 | TSHR (0.50) | TSHRLMNAAKR1B1CES2CES1 | |
| Pentane SCHEMBL28428185 | 0.93 | TSHR (0.50) | TSHRLMNAAKR1B1CES2CES1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0556559-B1 | Method for producing heat resistant coatings upon wires or fibres and device suitable for performing it | HERBERTS & CO GMBH (DE) | 1997-09-17 | — | — | EP | disclosed |
| EP-0556559-A1 | Method for producing heat resistant coatings upon wires or fibres and device suitable for performing it | Herberts Gesellschaft mit beschränkter Haftung (DE) | 1993-08-25 | — | — | EP | disclosed |