Known targets — ChEMBL curated mechanism
GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ
The experimentally established mechanism targets of Triclofos. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LPAR3 | Q9UBY5 | 7/20 | 0.38 |
| ▸ | LPAR1 | Q92633 | 5/20 | 0.38 |
| ▸ | LPAR2 | Q9HBW0 | 3/20 | 0.38 |
| ▸ | LPAR5 | Q9H1C0 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | SMPD1 | P17405 | 3/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.33 |
| ▸ | S1PR4 | O95977 | 3/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.33 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL37204 | 0.89 | SMPD1 (0.42) | LPAR3LPAR1LPAR2LPAR5CYP3A4 | |
| Phosphoric Acid SCHEMBL27986970 | 0.87 | SMPD1 (0.41) | LPAR3LPAR1LPAR2LPAR5CYP3A4 | |
| Triclofos SCHEMBL2864009 | 0.86 | LPAR3 (0.44) | LPAR3LPAR1LPAR2LPAR5CYP3A4 | |
| SCHEMBL9633573 | 0.85 | LPAR3 (0.58) | LPAR3LPAR1LPAR2LPAR5SMPD1 | |
| SCHEMBL27661095 | 0.83 | CYP3A4 (0.44) | LPAR3LPAR1LPAR2LPAR5CYP3A4 | |
| SCHEMBL14841937 | 0.82 | SMPD1 (0.37) | LPAR3LPAR1LPAR2LPAR5CYP3A4 | |
| Bicarbonate SCHEMBL8377088 | 0.81 | SMPD1 (0.36) | LPAR3LPAR1LPAR2LPAR5CYP3A4 | |
| SCHEMBL37202 | 0.77 | CYP3A4 (0.47) | LPAR3LPAR1LPAR2CYP3A4TSHR | |
| SCHEMBL37203 | 0.77 | LPAR3 (0.52) | LPAR3LPAR1LPAR2LPAR5CYP3A4 | |
| SCHEMBL2864012 | 0.75 | CYP3A4 (0.37) | LPAR3LPAR1LPAR2LPAR5CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-7767380-B2 | Photopolymerization type photosensitive lithographic printing plate precursor | FUJIFILM CORPORATION (JP) | 2010-08-03 | — | — | US | disclosed |
| US-20080076066-A1 | PHOTOPOLYMERIZATION TYPE PHOTOSENSITIVE LITHOGRAPHIC PRINTING PLATE PRECURSOR | FUJIFILM CORPORATION (JP) | 2008-03-27 | — | — | US | disclosed |