Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HMGCR | P04035 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.30 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | SLC7A5 | Q01650 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL21643558 | 0.82 | ALDH1A1 (0.47) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| Acetic Acid SCHEMBL14691201 | 0.82 | ALDH1A1 (0.47) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| Pivalate SCHEMBL27490297 | 0.80 | ALDH1A1 (0.45) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| Isopropyl Alcohol SCHEMBL9273685 | 0.79 | ALDH1A1 (0.50) | ALDH1A1TSHR | |
| SCHEMBL45262 | 0.79 | — | — | |
| Trifluoroacetic Acid SCHEMBL7647469 | 0.76 | ALDH1A1 (0.41) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| Water SCHEMBL5885198 | 0.76 | — | — | |
| SCHEMBL3192047 | 0.76 | — | — | |
| SCHEMBL28997335 | 0.76 | — | — | |
| Ethylene Glycol SCHEMBL2948674 | 0.76 | TP53 (0.47) | TP53CHRM1ADRA1ATSHRGABRR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110372476-B | Rectification process of 2, 2-dimethyl-1, 3-propylene glycol | 北京合宜集通科技有限公司 | 2021-03-23 | — | — | CN | disclosed |
| CN-109180428-B | Production process of 2, 2-dimethyl-1, 3-propylene glycol | 吉林市道特化工科技有限责任公司 | 2020-06-05 | — | — | CN | disclosed |