Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Propylene Glycol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.73 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.73 |
| ▸ | ATM | Q13315 | 1/20 | 0.73 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.73 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | PRKCA | P17252 | 3/20 | 0.46 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.46 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.46 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | DGKA | P23743 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.42 |
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-Butanediol SCHEMBL17798858 | 0.92 | TSHR (0.69) | TSHRCYP3A4ATMTDP1MAPT | |
| Adipic Acid SCHEMBL8168861 | 0.92 | TSHR (0.87) | TSHRCYP3A4ATMTDP1MAPT | |
| SCHEMBL789727 | 0.92 | TSHR (0.87) | TSHRCYP3A4ATMTDP1MAPT | |
| SCHEMBL433435 | 0.92 | TSHR (0.87) | TSHRCYP3A4ATMTDP1MAPT | |
| SCHEMBL3443419 | 0.90 | TSHR (0.84) | TSHRCYP3A4ATMTDP1MAPT | |
| SCHEMBL2039058 | 0.90 | TSHR (0.84) | TSHRCYP3A4ATMTDP1MAPT | |
| Hexanoate SCHEMBL7030535 | 0.90 | TSHR (0.84) | TSHRCYP3A4ATMTDP1MAPT | |
| SCHEMBL2049702 | 0.90 | TSHR (0.84) | TSHRCYP3A4ATMTDP1MAPT | |
| Sebacic Acid SCHEMBL22973773 | 0.90 | TSHR (0.84) | TSHRCYP3A4ATMTDP1MAPT | |
| SCHEMBL790237 | 0.90 | TSHR (0.84) | TSHRCYP3A4ATMTDP1MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7030057-B2 | Catalyst for esterification and transesterification and process for producing ester | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2006-04-18 | — | — | US | disclosed |
| US-20050176986-A1 | Catalyst for esterification and transesterification and process for producing ester | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2005-08-11 | — | — | US | disclosed |
| EP-1308208-A1 | CATALYST FOR ESTERIFICATION AND TRANSESTERIFICATION AND PROCESS FOR PRODUCING ESTER | Japan Science and Technology Corporation (JP) | 2003-05-07 | — | — | EP | disclosed |