Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.58 |
| ▸ | TSHR | P16473 | 3/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | FAAH | O00519 | 5/20 | 0.43 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.43 |
| ▸ | PRKCA | P17252 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Glutaral SCHEMBL28069595 | 0.91 | ALDH1A1 (0.64) | ALDH1A1TSHRLMNAHSD17B10MAPT | |
| Ethyl Acetate SCHEMBL6481178 | 0.87 | ALDH1A1 (0.64) | ALDH1A1TSHRLMNAHSD17B10MAPT | |
| Acetic Acid Butyl Ester SCHEMBL28321975 | 0.86 | ALDH1A1 (0.72) | ALDH1A1TSHRLMNAMAPTFAAH | |
| Pentanal SCHEMBL28174231 | 0.83 | TSHR (0.64) | ALDH1A1TSHRMAPTFAAHTRPV1 | |
| Hexane SCHEMBL547747 | 0.82 | ALDH1A1 (0.78) | ALDH1A1TSHRLMNAHSD17B10MAPT | |
| Hexane SCHEMBL59284 | 0.82 | ALDH1A1 (0.78) | ALDH1A1TSHRLMNAHSD17B10MAPT | |
| Hexane SCHEMBL4114183 | 0.82 | ALDH1A1 (0.78) | ALDH1A1TSHRLMNAHSD17B10MAPT | |
| Hexane SCHEMBL4897173 | 0.82 | ALDH1A1 (0.78) | ALDH1A1TSHRLMNAHSD17B10MAPT | |
| Hexane SCHEMBL10002813 | 0.82 | ALDH1A1 (0.78) | ALDH1A1TSHRLMNAHSD17B10MAPT | |
| Hexane SCHEMBL6720430 | 0.82 | ALDH1A1 (0.78) | ALDH1A1TSHRLMNAHSD17B10MAPT |
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-5208392-A | Oxidation of cyclohexane to cyclohexanol and cyclohexanone with hydrogen and oxygen in the presence of platinum-iron catalyst | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 1993-05-04 | — | — | US | disclosed |