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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.42 |
| ▸ | MEN1 | O00255 | 5/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.41 |
| ▸ | MAPT | P10636 | 6/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL9060578 | 1.00 | SCN9A (0.44) | SCN9ASMN1; SMN2MEN1KMT2AMAPT | |
| Iodide SCHEMBL9424670 | 0.84 | SMN1; SMN2 (0.57) | SMN1; SMN2MEN1KMT2AALDH1A1TSHR | |
| Iodide SCHEMBL9424668 | 0.84 | SMN1; SMN2 (0.57) | SMN1; SMN2MEN1KMT2AALDH1A1TSHR | |
| Iodide SCHEMBL9060364 | 0.83 | SCN9A (0.47) | SCN9ASMN1; SMN2MEN1KMT2AMAPT | |
| Iodide SCHEMBL9060369 | 0.83 | SCN9A (0.47) | SCN9ASMN1; SMN2MEN1KMT2AMAPT | |
| SCHEMBL9059429 | 0.82 | SCN9A (0.48) | SCN9ASMN1; SMN2MEN1KMT2AMAPT | |
| SCHEMBL9059428 | 0.82 | SCN9A (0.48) | SCN9ASMN1; SMN2MEN1KMT2AMAPT | |
| SCHEMBL20026941 | 0.80 | KMT2A (0.41) | SCN9AMEN1KMT2AMAPTALDH1A1 | |
| Iodide SCHEMBL9424394 | 0.77 | SCN9A (0.47) | SCN9ASMN1; SMN2MEN1KMT2AMAPT | |
| Thiourea SCHEMBL9059589 | 0.77 | SCN9A (0.44) | SCN9ASMN1; SMN2MEN1KMT2AMAPT |
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-1996017612-A1 | USE OF SUBSTITUTED PHENYLAMIDINE AND PHENYLGUANIDINE COMPOUNDS FOR THE TREATMENT OF CEREBRAL AND CARDIAC ISCHAEMIA, CONVULSION AND SICKLE CELL ANAEMIA | KNOLL AKTIENGESELLSCHAFT (DE) | 1996-06-13 | — | — | WO | disclosed |