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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | RGS12 | O14924 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | USP2 | O75604 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.54 |
| ▸ | THRB | P10828 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | RAD52 | P43351 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | BCHE | P06276 | 13/20 | 0.51 |
| ▸ | ACHE | P22303 | 13/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL29752682 | 0.93 | KDM4E (0.50) | KDM4EMEN1RGS12NPC1USP2 | |
| SCHEMBL11070778 | 0.85 | KDM4E (0.58) | KDM4EMEN1RGS12NPC1USP2 | |
| SCHEMBL1128342 | 0.84 | KDM4E (0.71) | KDM4EMEN1RGS12NPC1USP2 | |
| Hydrochloric Acid SCHEMBL5144187 | 0.82 | KDM4E (0.69) | KDM4EMEN1RGS12NPC1USP2 | |
| Iodide SCHEMBL29889034 | 0.82 | KDM4E (0.74) | KDM4EMEN1RGS12NPC1USP2 | |
| Bromide SCHEMBL18154059 | 0.82 | BCHE (0.71) | KDM4EMEN1RGS12NPC1USP2 | |
| Iodide SCHEMBL4618173 | 0.82 | KDM4E (0.74) | KDM4EMEN1RGS12NPC1USP2 | |
| 1-Ethylquinolonium SCHEMBL11069884 | 0.81 | KDM4E (0.50) | KDM4EMEN1RGS12NPC1USP2 | |
| SCHEMBL6930623 | 0.81 | KDM4E (0.50) | KDM4EMEN1KMT2ABCHEACHE | |
| SCHEMBL11067593 | 0.78 | GAA (0.45) | KDM4EMEN1NPC1LMNAMAPK1 |
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-4431774-A | QUINOLINIUM SULFONATES AS LATENT ACID CATALYSTS; RADIATION; DECOMPOSITION; STORAGE STABILITY | CIBA-GEIGY CORPORATION (US) | 1984-02-14 | — | — | US | disclosed |