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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.33 |
| ▸ | KMO | O15229 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29465759 | 0.76 | TTR (0.50) | KMO | |
| SCHEMBL310780 | 0.76 | TTR (0.50) | KMO | |
| SCHEMBL2407029 | 0.76 | TRPV6 (0.46) | RAPGEF4KMOSLC6A3MAPTMAPK1 | |
| SCHEMBL9872898 | 0.74 | TTR (0.48) | KMO | |
| SCHEMBL29419680 | 0.69 | CES2 (0.35) | — | |
| SCHEMBL2406879 | 0.66 | KDM4E (0.50) | SLC6A3MAPK1 | |
| SCHEMBL29993075 | 0.66 | AHR (0.55) | RAPGEF4KMOSLC6A3MAPK1 | |
| 2,5-Dichlorofluorobenzene SCHEMBL29707637 | 0.66 | — | — | |
| SCHEMBL168149 | 0.66 | — | — | |
| SCHEMBL29415157 | 0.66 | — | — |
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-1991009016-A2 | HALOPHENYL SUBSTITUTED HETEROCYCLIC DERIVATIVES | MERCK PATENT GMBH (DE) | 1991-06-27 | — | — | WO | disclosed |