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 | 2/20 | 0.50 |
| ▸ | GABRG2 known ✓ | P18507 | 2/20 | 0.50 |
| ▸ | GABRB3 known ✓ | P28472 | 2/20 | 0.50 |
| ▸ | GABRB1 known ✓ | P18505 | 1/20 | 0.50 |
| ▸ | GABRA5 known ✓ | P31644 | 1/20 | 0.50 |
| ▸ | GABRA3 known ✓ | P34903 | 1/20 | 0.50 |
| ▸ | GABRA2 known ✓ | P47869 | 1/20 | 0.50 |
| ▸ | GABRB2 known ✓ | P47870 | 1/20 | 0.50 |
| ▸ | GABRA4 known ✓ | P48169 | 1/20 | 0.50 |
| ▸ | GABRA6 known ✓ | Q16445 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | CA2 | P00918 | 4/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | FAAH | O00519 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL144821 | 0.86 | CA2 (0.50) | TSHRCA2CYP1A2LMNACYP3A4 | |
| Propofol SCHEMBL11596465 | 0.81 | CA2 (0.61) | TSHRCA2CYP1A2LMNACYP3A4 | |
| SCHEMBL99080 | 0.78 | CYP2C9 (0.47) | TSHRCA2CYP1A2LMNACYP3A4 | |
| SCHEMBL2951999 | 0.78 | CYP1A2 (0.44) | TSHRCA2CYP1A2LMNACYP3A4 | |
| SCHEMBL248963 | 0.77 | GABRA1 (0.71) | TSHRCA2CYP1A2LMNACYP3A4 | |
| SCHEMBL249198 | 0.77 | GABRA1 (0.71) | TSHRCA2CYP1A2LMNACYP3A4 | |
| SCHEMBL249795 | 0.77 | GABRA1 (0.71) | TSHRCA2CYP1A2LMNACYP3A4 | |
| SCHEMBL12626206 | 0.76 | CYP2C9 (0.52) | TSHRCA2CYP1A2LMNACYP3A4 | |
| Benzene SCHEMBL28159019 | 0.76 | CYP2C9 (0.52) | TSHRCA2CYP1A2LMNACYP3A4 | |
| SCHEMBL10778785 | 0.75 | HSPA5 (0.56) | TSHRCA2CYP1A2LMNACYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009108851-A1 | BIODIESEL STABILIZING COMPOSITIONS | NOVUS INTERNATIONAL INC. (US) | 2009-09-03 | — | — | WO | disclosed |