Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | SQLE | Q14534 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL7927996 | 1.00 | CES1 (0.36) | CES1CES2ALDH1A1SQLETP53 | |
| SCHEMBL19994697 | 0.93 | CES2 (0.39) | CES1CES2ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL5868328 | 0.87 | ALDH1A1 (0.36) | ALDH1A1SQLESMN1; SMN2LMNAHSD17B10 | |
| SCHEMBL31520438 | 0.87 | CES1 (0.41) | CES1CES2ALDH1A1TP53SMN1; SMN2 | |
| SCHEMBL27502249 | 0.85 | CES1 (0.36) | CES1CES2ALDH1A1SQLETP53 | |
| SCHEMBL6748303 | 0.84 | — | — | |
| SCHEMBL12654720 | 0.84 | — | — | |
| SCHEMBL2007248 | 0.82 | CES1 (0.38) | CES1CES2ALDH1A1TP53CA1 | |
| Hydrochloric Acid SCHEMBL28458576 | 0.82 | CES1 (0.38) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL2007250 | 0.82 | CES1 (0.38) | CES1CES2ALDH1A1TP53CA1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6307093-B1 | ESTERS OF BRANCHED C.SUB.9 ALCOHOLS SUITABLE AS PLASTICIZERS; C6 ALDEHYDE AND A SATURATED ALIPHATIC C9 ALDEHYDE; REFRIGERANT LUBRICANTS | EXXONMOBIL CHEMICAL PATENTS INC. | 2001-10-23 | — | — | US | disclosed |
| US-6090986-A | MANUFACTURE OF A SATURATED ALIPHATIC ALDEHYDE CONTAINING A TOTAL OF 9 CARBON ATOMS WHICH COMPRISES SUBJECTING A SATURATED C6 ALDEHYDE TO AN ALDOL CONDENSATION WITH PROPANAL TO FORM AN UNSATURATED C9 ALDEHYDE, AND HYDROGENATION | EXXON CHEMICAL PATENTS INC. (US) | 2000-07-18 | — | — | US | disclosed |
| EP-0804402-A1 | ORGANIC COMPOUNDS AND PROCESSES FOR THEIR MANUFACTURE | EXXON CHEMICAL PATENTS INC. (US) | 1997-11-05 | — | — | EP | disclosed |
| WO-1996022268-A1 | ORGANIC COMPOUNDS AND PROCESSES FOR THEIR MANUFACTURE | EXXON CHEMICAL PATENTS INC. (US) | 1996-07-25 | — | — | WO | disclosed |