Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A1 | O15245 | 3/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.55 |
| ▸ | DNM1 | Q05193 | 4/20 | 0.52 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.44 |
| ▸ | PPARG | P37231 | 2/20 | 0.44 |
| ▸ | PPARD | Q03181 | 2/20 | 0.44 |
| ▸ | PPARA | Q07869 | 2/20 | 0.44 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.44 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.44 |
| ▸ | TLR2 | O60603 | 1/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Tetrabuthylammonium SCHEMBL2354515 | 0.93 | SLC22A1 (0.57) | SLC22A1ALDH1A1TSHRTP53CYP3A4 | |
| Octane SCHEMBL29057202 | 0.88 | GPR84 (0.55) | ALDH1A1TSHRALOX15HSD17B10GPR84 | |
| Pivalate SCHEMBL5570536 | 0.87 | DNM1 (0.62) | SLC22A1TSHRSMN1; SMN2HSD17B10DNM1 | |
| Pivalate SCHEMBL5573308 | 0.87 | DNM1 (0.62) | SLC22A1TSHRSMN1; SMN2HSD17B10DNM1 | |
| Pivalate SCHEMBL5574424 | 0.87 | DNM1 (0.62) | SLC22A1TSHRSMN1; SMN2HSD17B10DNM1 | |
| Pivalate SCHEMBL5571684 | 0.87 | DNM1 (0.44) | SLC22A1ALDH1A1TSHRALOX15HSD17B10 | |
| Pivalate SCHEMBL5571705 | 0.87 | DNM1 (0.44) | SLC22A1ALDH1A1TSHRALOX15HSD17B10 | |
| Pivalate SCHEMBL5575060 | 0.87 | DNM1 (0.62) | SLC22A1TSHRSMN1; SMN2HSD17B10DNM1 | |
| Pivalate SCHEMBL5570490 | 0.87 | DNM1 (0.44) | SLC22A1ALDH1A1TSHRALOX15HSD17B10 | |
| Pivalate SCHEMBL5574163 | 0.87 | DNM1 (0.44) | SLC22A1ALDH1A1TSHRALOX15HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-5691440-A | Catalyst and process for producing isocyanate trimers | ARCO CHEMICAL TECHNONOGY, L.P. (US) | 1997-11-25 | — | — | US | claimed |
| US-5691440-A | Catalyst and process for producing isocyanate trimers | ARCO CHEMICAL TECHNONOGY, L.P. (US) | 1997-11-25 | — | — | US | disclosed |