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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 9/20 | 0.45 |
| ▸ | CTSS | P25774 | 6/20 | 0.45 |
| ▸ | CTSL | P07711 | 2/20 | 0.45 |
| ▸ | CTSB | P07858 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 5/20 | 0.42 |
| ▸ | PPARG | P37231 | 4/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ACE | P12821 | 1/20 | 0.41 |
| ▸ | PPARD | Q03181 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2781378 | 0.92 | CTSK (0.50) | CTSKCTSSCTSLCTSBCA1 | |
| SCHEMBL205237 | 0.92 | CTSK (0.50) | CTSKCTSSCTSLCTSBCA1 | |
| SCHEMBL1423262 | 0.92 | CTSK (0.50) | CTSKCTSSCTSLCTSBCA1 | |
| SCHEMBL7306871 | 0.91 | CTSK (0.49) | CTSKCTSSCTSLCTSBCA1 | |
| SCHEMBL13571115 | 0.91 | CTSK (0.49) | CTSKCTSSCTSLCTSBCA1 | |
| SCHEMBL11276177 | 0.91 | CTSK (0.49) | CTSKCTSSCTSLCTSBCA1 | |
| SCHEMBL28821330 | 0.86 | CTSK (0.48) | CTSKCTSSCTSLCTSBCA1 | |
| SCHEMBL27993304 | 0.86 | CTSK (0.48) | CTSKCTSSCTSLCTSBCA1 | |
| SCHEMBL31341274 | 0.86 | CTSK (0.48) | CTSKCTSSCTSLCTSBCA1 | |
| SCHEMBL3873210 | 0.84 | CTSK (0.47) | CTSKCTSSCTSLCTSBPPARA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6297239-B1 | Inhibitors of prenyl-protein transferase | MERCK & CO., INC. | 2001-10-02 | — | — | US | disclosed |
| WO-2000070083-A1 | ASSAY FOR MYELOSUPPRESSION BY FARNESYL TRANSFERASE INHIBITORS | MERCK & CO., INC. (US) | 2000-11-23 | — | — | WO | disclosed |
| US-6060038-A | Radiolabeled farnesyl-protein transferase inhibitors | MERCK & CO., INC. (US) | 2000-05-09 | — | — | US | disclosed |
| US-5856326-A | ANTITUMOR, ANTICANCER AGENTS | MERCK & CO., INC. (US) | 1999-01-05 | — | — | US | disclosed |
| EP-0820445-A1 | INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE | Merck & Co., Inc. (US) | 1998-01-28 | — | — | EP | disclosed |