Known targets — ChEMBL curated mechanism
GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ
The experimentally established mechanism targets of Propofol. 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 | |
|---|---|---|---|---|
| ▸ | GABRA1 known ✓ | P14867 | 4/20 | 0.63 |
| ▸ | GABRB1 known ✓ | P18505 | 2/20 | 0.63 |
| ▸ | GABRG2 known ✓ | P18507 | 2/20 | 0.63 |
| ▸ | GABRB3 known ✓ | P28472 | 2/20 | 0.63 |
| ▸ | GABRB2 known ✓ | P47870 | 2/20 | 0.63 |
| ▸ | GABRA5 known ✓ | P31644 | 1/20 | 0.63 |
| ▸ | GABRA3 known ✓ | P34903 | 1/20 | 0.63 |
| ▸ | GABRA2 known ✓ | P47869 | 1/20 | 0.63 |
| ▸ | GABRA4 known ✓ | P48169 | 1/20 | 0.63 |
| ▸ | GABRA6 known ✓ | Q16445 | 1/20 | 0.63 |
| ▸ | LMNA | P02545 | 4/20 | 0.63 |
| ▸ | FAAH | O00519 | 1/20 | 0.63 |
| ▸ | CA1 | P00915 | 1/20 | 0.63 |
| ▸ | CA2 | P00918 | 1/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.63 |
| ▸ | HPGD | P15428 | 1/20 | 0.63 |
| ▸ | TSHR | P16473 | 1/20 | 0.63 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.63 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| Propofol SCHEMBL14799800 | 0.96 | GABRA1 (0.63) | GABRA1LMNAGABRB1GABRG2GABRB3 | |
| Propofol SCHEMBL28945844 | 0.93 | GABRA1 (0.55) | GABRA1LMNAGABRB1GABRG2GABRB3 | |
| Propofol SCHEMBL4126066 | 0.92 | GABRA1 (0.68) | GABRA1LMNAGABRB1GABRG2GABRB3 | |
| Palmitic Acid SCHEMBL17372983 | 0.92 | GPR84 (0.53) | GABRA1LMNAGABRB1GABRG2GABRB3 | |
| Oleic Acid SCHEMBL17372979 | 0.84 | PPARG (0.60) | LMNAFAAHCYP1A2CYP3A4HPGD | |
| Oleic Acid SCHEMBL28162453 | 0.84 | PPARG (0.60) | LMNAFAAHCYP1A2CYP3A4HPGD | |
| Propofol SCHEMBL4023094 | 0.84 | GABRA1 (0.81) | GABRA1LMNAGABRB1GABRG2GABRB3 | |
| Propofol SCHEMBL23277006 | 0.83 | GABRA1 (0.65) | GABRA1LMNAGABRB1GABRG2GABRB3 | |
| Propofol SCHEMBL2678655 | 0.83 | GABRA1 (0.65) | GABRA1LMNAGABRB1GABRG2GABRB3 | |
| Propofol SCHEMBL6945747 | 0.80 | CYP1A2 (0.55) | GABRA1LMNAGABRB1GABRG2GABRB3 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1318798-A4 | WATER-SOLUBLE PRODRUGS OF PROPOFOL FOR TREATMENT OF MIGRAINE | VYREX CORP (US) | 2004-01-28 | — | — | EP | disclosed |
| EP-1075489-B1 | WATER-SOLUBLE PRODRUGS OF 2,6-DIISOPROPYLPHENOL ANALOGUES | VYREX CORP (US) | 2003-08-20 | — | — | EP | disclosed |
| EP-1318798-A1 | WATER-SOLUBLE PRODRUGS OF PROPOFOL FOR TREATMENT OF MIGRAINE | VYREX CORPORATION (US) | 2003-06-18 | — | — | EP | disclosed |
| US-6362234-B1 | HEADACHES | VYREX CORPORATION | 2002-03-26 | — | — | US | disclosed |
| WO-2002013810-A1 | WATER-SOLUBLE PRODRUGS OF PROPOFOL FOR TREATMENT OF MIGRAINE | VYREX CORPORATION (US) | 2002-02-21 | — | — | WO | disclosed |
| US-6254853-B1 | DRUGS WITH CARRIERS | VYREX CORPORATION | 2001-07-03 | — | — | US | disclosed |
| EP-1075489-A2 | WATER-SOLUBLE PRO-DRUGS OF 2,6-DIISOPROPYLPHENOL ANALOGUES | VYREX CORPORATION (US) | 2001-02-14 | — | — | EP | disclosed |
| WO-1999058555-A2 | WATER-SOLUBLE PRO-DRUGS OF 2,6-DIISOPROPYLPHENOL ANALOGUES | VYREX CORPORATION (US) | 1999-11-18 | — | — | WO | disclosed |