Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 6/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.30 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| 1,3-Propanediol SCHEMBL8809902 | 0.96 | — | — | |
| 1,3-Propanediol SCHEMBL4960366 | 0.93 | ALDH1A1 (0.40) | ALDH1A1LMNATDP1SMN1; SMN2TSHR | |
| 1,3-Propanediol SCHEMBL28201030 | 0.89 | TDP1 (0.41) | ALDH1A1LMNATDP1SMN1; SMN2TSHR | |
| 1,4-Butanediol SCHEMBL2293967 | 0.88 | ALDH1A1 (0.50) | ALDH1A1LMNATDP1SMN1; SMN2TSHR | |
| 1,3-Propanediol SCHEMBL10780274 | 0.88 | — | — | |
| Isopropyl Alcohol SCHEMBL564847 | 0.88 | — | — | |
| Isopropyl Alcohol SCHEMBL28189096 | 0.88 | ALDH1A1 (0.60) | ALDH1A1LMNATDP1TSHRTHRB | |
| Isopropyl Alcohol SCHEMBL8328017 | 0.88 | ALDH1A1 (0.60) | ALDH1A1LMNATDP1TSHRTHRB | |
| Propylene Glycol SCHEMBL27908921 | 0.86 | TDP1 (0.67) | ALDH1A1LMNATDP1SMN1; SMN2TSHR | |
| 1,6-Hexanediol SCHEMBL28268811 | 0.85 | TSHR (0.53) | ALDH1A1LMNATDP1SMN1; SMN2TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-2007210-A2 | COMPOSITIONS COMPRISING MONO AND DI ESTERS OF BIOLOGICALLY-BASED 1.3-PROPANEDIOL | DuPont Tate & Lyle Bio Products Company, LLC (US) | 2008-12-31 | — | — | EP | disclosed |
| WO-2008123845-A2 | COMPOSITIONS COMPRISING MONO AND DI ESTERS OF BIOLOGICALLY-BASED 1.3-PROPANEDIOL | DUPONT TATE & LYLE BIO PRODUCTS COMPANY, LLC (US) | 2008-10-16 | — | — | WO | disclosed |