Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Iodide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | RXRA | P19793 | 3/20 | 0.31 |
| ▸ | RXRB | P28702 | 3/20 | 0.31 |
| ▸ | RXRG | P48443 | 3/20 | 0.31 |
| ▸ | MITF | O75030 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL9849579 | 0.98 | PPARA (0.52) | PPARANPSR1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL11661758 | 0.82 | PPARA (0.60) | PPARANPSR1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL9849248 | 0.79 | PPARA (0.54) | PPARANPSR1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL27348673 | 0.78 | PPARA (0.52) | PPARANPSR1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL9548278 | 0.78 | PPARA (0.52) | PPARANPSR1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL9548297 | 0.77 | PPARA (0.52) | PPARANPSR1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL9849445 | 0.76 | PPARA (0.51) | PPARANPSR1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL6402764 | 0.76 | PPARA (0.84) | PPARASMN1; SMN2NPC1RAB9ATSHR | |
| Ammonia Solution, Strong SCHEMBL9548251 | 0.75 | PPARA (0.50) | PPARANPSR1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL9548264 | 0.75 | PPARA (0.50) | PPARANPSR1SMN1; SMN2NPC1RAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5273989-A | 3,5-disubstituted 2-isoxazolines and isoxazoles, agents containing them and their use | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-12-28 | — | — | US | claimed |
| US-5273989-A | 3,5-disubstituted 2-isoxazolines and isoxazoles, agents containing them and their use | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-12-28 | — | — | US | disclosed |