Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.32 |
| ▸ | PRKCG | P05129 | 1/20 | 0.32 |
| ▸ | PRKCB | P05771 | 1/20 | 0.32 |
| ▸ | PRKCA | P17252 | 1/20 | 0.32 |
| ▸ | PRKCH | P24723 | 1/20 | 0.32 |
| ▸ | PRKCI | P41743 | 1/20 | 0.32 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.32 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| 1-Hexanol SCHEMBL28200638 | 0.98 | ALDH1A1 (0.48) | SMN1; SMN2ALDH1A1LMNAHSD17B10MEN1 | |
| Butyl Alcohol SCHEMBL28856285 | 0.94 | ALDH1A1 (0.44) | SMN1; SMN2ALDH1A1LMNAHSD17B10MEN1 | |
| Hexane SCHEMBL1664733 | 0.90 | EPHX1 (0.45) | SMN1; SMN2ALDH1A1HSD17B10TSHREPHX1 | |
| Heptane SCHEMBL241041 | 0.88 | EPHX1 (0.48) | SMN1; SMN2ALDH1A1HSD17B10TSHREPHX1 | |
| Propanol SCHEMBL28038121 | 0.88 | ALDH1A1 (0.32) | SMN1; SMN2ALDH1A1HSD17B10TSHREPHX1 | |
| Alcohol SCHEMBL20987119 | 0.83 | — | — | |
| Ethylene Glycol SCHEMBL3000731 | 0.83 | NOS2 (0.33) | ALDH1A1LMNAKMT2A | |
| Propane SCHEMBL29260697 | 0.79 | — | — | |
| SCHEMBL28596158 | 0.78 | EPHX1 (0.35) | SMN1; SMN2ALDH1A1EPHX1RAB9ANPC1 | |
| Dodecanol SCHEMBL11857644 | 0.78 | EPHX1 (0.48) | SMN1; SMN2ALDH1A1LMNAHSD17B10MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107721788-A | The method that aromatisation produces aromatic hydrocarbon | 中国石油化工股份有限公司 | 2018-02-23 | — | — | CN | disclosed |