Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | TSHR | P16473 | 6/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 3/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Butanal SCHEMBL8140256 | 1.00 | ALDH1A1 (0.51) | ALDH1A1TSHRLMNACYP3A4TDP1 | |
| SCHEMBL8072555 | 0.96 | ALDH1A1 (0.56) | ALDH1A1TSHRLMNACYP3A4TDP1 | |
| SCHEMBL8072556 | 0.96 | ALDH1A1 (0.56) | ALDH1A1TSHRLMNACYP3A4TDP1 | |
| Butanal SCHEMBL21542575 | 0.86 | ALDH1A1 (0.69) | ALDH1A1TSHRLMNACYP3A4TDP1 | |
| Butanal SCHEMBL21963514 | 0.80 | ALDH1A1 (0.43) | ALDH1A1TSHRLMNASMN1; SMN2 | |
| Butanal SCHEMBL7636134 | 0.79 | ALDH1A1 (0.55) | ALDH1A1TSHR | |
| Butanal SCHEMBL7636137 | 0.79 | ALDH1A1 (0.55) | ALDH1A1TSHR | |
| Butanal SCHEMBL17181547 | 0.78 | ALDH1A1 (0.52) | ALDH1A1TSHR | |
| Nonanal SCHEMBL11820547 | 0.77 | ALDH1A1 (0.64) | ALDH1A1TSHRLMNACYP3A4TDP1 | |
| SCHEMBL8926219 | 0.76 | TSHR (0.61) | TSHRCA2SMN1; SMN2 |
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-6117277-A | DISTILLING A C4-C10-ALCOHOL AT 150 TO 200.DEGREE C. IN THE PRESENCE OF 10 TO 200 PPM OF SODIUM HYDROXIDE OR POTASSIUM HYDROXIDE, RECOVERING THE ALCOHOL FORM DISTILLATION ZONE HAVING DECREASED AMOUNT OF ALDEHYDE IMPURITY | CELANESE CHEMICALS EUROPE GMBH (DE) | 2000-09-12 | — | — | US | disclosed |