Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
| ▸ | CES1 | P23141 | 6/20 | 0.53 |
| ▸ | CES2 | O00748 | 5/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.47 |
| ▸ | PPARG | P37231 | 5/20 | 0.45 |
| ▸ | PPARD | Q03181 | 5/20 | 0.45 |
| ▸ | PPARA | Q07869 | 5/20 | 0.45 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.45 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.45 |
| ▸ | TLR2 | O60603 | 2/20 | 0.45 |
| ▸ | FABP4 | P15090 | 2/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.45 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.45 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
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 SCHEMBL28313259 | 1.00 | TSHR (0.58) | TSHRLMNACES1CES2ALDH1A1 | |
| Pentane SCHEMBL9326249 | 1.00 | TSHR (0.58) | TSHRLMNACES1CES2ALDH1A1 | |
| Pentane SCHEMBL8024731 | 1.00 | TSHR (0.58) | TSHRLMNACES1CES2ALDH1A1 | |
| Pentane SCHEMBL714047 | 1.00 | — | — | |
| Pentane SCHEMBL8034549 | 1.00 | TSHR (0.58) | TSHRLMNACES1CES2ALDH1A1 | |
| Pentane SCHEMBL10341756 | 0.96 | CES1 (0.58) | TSHRLMNACES1CES2ALDH1A1 | |
| Hexane SCHEMBL6274730 | 0.96 | CES1 (0.56) | TSHRLMNACES1CES2ALDH1A1 | |
| Hexane SCHEMBL114496 | 0.92 | CES1 (0.59) | TSHRCES1CES2ALDH1A1AKR1B1 | |
| Hexane SCHEMBL16758660 | 0.92 | CES1 (0.59) | TSHRCES1CES2ALDH1A1AKR1B1 | |
| Hexane SCHEMBL9523905 | 0.92 | CES1 (0.59) | TSHRCES1CES2ALDH1A1AKR1B1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6136911-A | Fibers flash-spun from partially fluorinated polymers | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2000-10-24 | — | — | US | disclosed |