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 | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.55 |
| ▸ | MEN1 | O00255 | 4/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.55 |
| ▸ | NPC1 | O15118 | 6/20 | 0.52 |
| ▸ | RAB9A | P51151 | 6/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | HPGDS | O60760 | 1/20 | 0.48 |
| ▸ | NAMPT | P43490 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 5/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | CASP7 | P55210 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9047210 | 0.99 | SMN1; SMN2 (0.56) | SMN1; SMN2MEN1KMT2ANPC1RAB9A | |
| Iodide SCHEMBL6961661 | 0.84 | NPC1 (0.52) | SMN1; SMN2MEN1KMT2ANPC1RAB9A | |
| Iodide SCHEMBL7076168 | 0.79 | NOS1 (0.55) | SMN1; SMN2MEN1KMT2A | |
| SCHEMBL8150881 | 0.78 | NPC1 (0.51) | SMN1; SMN2MEN1KMT2ANPC1RAB9A | |
| SCHEMBL6958477 | 0.78 | NPC1 (0.51) | SMN1; SMN2MEN1KMT2ANPC1RAB9A | |
| SCHEMBL9047216 | 0.78 | NOS1 (0.56) | SMN1; SMN2MEN1KMT2ATSHR | |
| Iodide SCHEMBL6962649 | 0.78 | NPC1 (0.54) | SMN1; SMN2MEN1KMT2ANPC1RAB9A | |
| SCHEMBL8393415 | 0.78 | KMT2A (0.62) | SMN1; SMN2MEN1KMT2ANPC1RAB9A | |
| SCHEMBL9038704 | 0.76 | NPC1 (0.55) | SMN1; SMN2MEN1KMT2ANPC1RAB9A | |
| SCHEMBL6957502 | 0.76 | NPC1 (0.61) | SMN1; SMN2MEN1KMT2ANPC1RAB9A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0713483-B1 | AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES | ASTRAZENECA AB (SE) | 2003-01-15 | — | — | EP | disclosed |
| US-6030985-A | Amidine derivatives with nitric oxide synthetase activities | ASTRA AKTIEBOLAG (SE) | 2000-02-29 | — | — | US | disclosed |
| US-5807885-A | Amidine derivatives with nitric oxide synthetase activities | ASTRA AKTIEBOLAG (SE) | 1998-09-15 | — | — | US | disclosed |
| EP-0713483-A1 | AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES | Astra Aktiebolag (SE) | 1996-05-29 | — | — | EP | disclosed |
| WO-1995005363-A1 | AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES | ASTRA AKTIEBOLAG (SE) | 1995-02-23 | — | — | WO | disclosed |