Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL11687352 | 0.88 | KDM4E (0.58) | KDM4ECYP2D6CYP2C19BLMNPSR1 | |
| SCHEMBL1286918 | 0.81 | — | — | |
| SCHEMBL27962429 | 0.79 | KDM4E (0.71) | KDM4ECYP2D6CYP2C19BLMNPSR1 | |
| Iodide SCHEMBL1286886 | 0.79 | — | — | |
| Guanidine SCHEMBL3047699 | 0.73 | KDM4E (0.46) | KDM4ECYP2D6CYP2C19BLMNPSR1 | |
| Acetamidine SCHEMBL6287555 | 0.71 | BLM (0.43) | KDM4ECYP2D6CYP2C19BLMNPSR1 | |
| SCHEMBL6737394 | 0.69 | KDM4E (0.42) | KDM4ECYP2D6CYP2C19BLMNPSR1 | |
| Thiourea SCHEMBL7362564 | 0.69 | KDM4E (0.42) | KDM4ECYP2D6CYP2C19BLMNPSR1 | |
| Methylsulfanylmethane SCHEMBL27940075 | 0.68 | — | — | |
| SCHEMBL11767909 | 0.68 | KDM4E (0.43) | KDM4ECYP2D6CYP2C19BLMNPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7002011-B1 | Process for the preparation of 2-amino-4-chloro-1,3,5-triazines | AVENTIS CROPSCIENCE GMBH (DE) | 2006-02-21 | — | — | US | disclosed |