Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 1/20 | 0.34 |
| ▸ | S1PR2 | O95136 | 6/20 | 0.34 |
| ▸ | S1PR4 | O95977 | 6/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 6/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 6/20 | 0.34 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.34 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.33 |
| ▸ | BHMT | Q93088 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | LPAR3 | Q9UBY5 | 3/20 | 0.32 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8755003 | 0.78 | GPR84 (0.42) | — | |
| SCHEMBL9079839 | 0.76 | GPR84 (0.39) | S1PR2S1PR1 | |
| SCHEMBL8515969 | 0.73 | CA2 (0.38) | TYMSS1PR2S1PR4S1PR1S1PR3 | |
| SCHEMBL5061005 | 0.70 | FOLH1 (0.36) | FOLH1CA2CA4LMNABLM | |
| SCHEMBL8728300 | 0.69 | CA2 (0.40) | TYMSS1PR2S1PR4S1PR1S1PR3 | |
| SCHEMBL3520936 | 0.68 | CA2 (0.59) | FOLH1CA2CA4LMNABLM | |
| SCHEMBL14179660 | 0.67 | S1PR2 (0.47) | TYMSS1PR2S1PR4S1PR1S1PR3 | |
| SCHEMBL5579078 | 0.67 | — | — | |
| SCHEMBL7518753 | 0.67 | — | — | |
| SCHEMBL7519229 | 0.66 | S1PR2 (0.50) | TYMSS1PR2S1PR4S1PR1S1PR3 |
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-6706670-B2 | CARBOXYLIC ACIDS AND SALTS AND PHOSPHATES, BORATES, PHOSPHONATES, PHOSPHITES AND HYPOPHOSPHITES | SOLUTIA, INC. | 2004-03-16 | — | — | US | disclosed |
| US-20030162671-A1 | NOVEL WATER SOLUBLE METAL WORKING FLUIDS | SOLUTIA INC. | 2003-08-28 | — | — | US | disclosed |
| EP-0979266-A2 | NOVEL WATER SOLUBLE METAL WORKING FLUIDS | Solutia Inc. (US) | 2000-02-16 | — | — | EP | disclosed |
| WO-1998008919-A9 | NOVEL WATER SOLUBLE METAL WORKING FLUIDS | — | 1998-05-28 | — | — | WO | disclosed |
| WO-1998008919-A2 | NOVEL WATER SOLUBLE METAL WORKING FLUIDS | SOLUTIA INC. (US) | 1998-03-05 | — | — | WO | disclosed |