Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 6/20 | 0.46 |
| ▸ | CTSS | P25774 | 2/20 | 0.44 |
| ▸ | ITGB3 | P05106 | 6/20 | 0.44 |
| ▸ | ITGA2B | P08514 | 6/20 | 0.44 |
| ▸ | NOD1 | Q9Y239 | 4/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | P2RY12 | Q9H244 | 2/20 | 0.39 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2222627 | 1.00 | CTSK (0.46) | CTSKCTSSITGB3ITGA2BNOD1 | |
| SCHEMBL13183147 | 0.91 | NOD1 (0.47) | CTSKCTSSITGB3ITGA2BNOD1 | |
| SCHEMBL12228690 | 0.90 | CTSK (0.52) | CTSKCTSSITGB3ITGA2BNOD1 | |
| SCHEMBL12369655 | 0.90 | CTSK (0.52) | CTSKCTSSITGB3ITGA2BNOD1 | |
| SCHEMBL13577832 | 0.90 | CTSK (0.52) | CTSKCTSSITGB3ITGA2BNOD1 | |
| SCHEMBL4364211 | 0.86 | CTSK (0.45) | CTSKCTSSITGB3ITGA2BCYP1A2 | |
| SCHEMBL1161276 | 0.86 | CTSK (0.45) | CTSKCTSSITGB3ITGA2BCYP1A2 | |
| SCHEMBL17175560 | 0.86 | ITGB3 (0.47) | ITGB3ITGA2BNOD1 | |
| SCHEMBL7284831 | 0.86 | NOD1 (0.52) | CTSKCTSSITGB3ITGA2BNOD1 | |
| SCHEMBL21805585 | 0.85 | NOD1 (0.54) | CTSKCTSSITGB3ITGA2BNOD1 |
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-2003037346-A1 | 6-PHENYL-N-PHENYL-(1,3,5) -TRIAZINE-2,4-DIAMINE DERIVATIVES AND RELATED COMPOUNDS WITH LYSOPHPHOSPHATIDIC ACID ACYLTRANSFERASE BETA (LPAAT-BETA) INHIBITORY ACTIVITY FOR USE IN THE TREATMENT OF CANCER | CELL THERAPEUTICS, INC. (US) | 2003-05-08 | — | — | WO | disclosed |