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 | |
|---|---|---|---|---|
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.43 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.43 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | CKS1B | P61024 | 2/20 | 0.46 |
| ▸ | SKP1 | P63208 | 2/20 | 0.46 |
| ▸ | SKP2 | Q13309 | 2/20 | 0.46 |
| ▸ | ABL1 | P00519 | 1/20 | 0.46 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL5332203 | 0.83 | GPR119 (0.47) | GPR119TSHRALOX15CKS1BSKP1 | |
| Formaldehyde SCHEMBL21291575 | 0.78 | HPGD (0.67) | HPGDMEN1KMT2AABL1RIN1 | |
| SCHEMBL19864899 | 0.78 | HPGD (0.71) | HPGDMEN1KMT2AABL1RIN1 | |
| SCHEMBL21707988 | 0.78 | HPGD (0.71) | HPGDMEN1KMT2AABL1RIN1 | |
| SCHEMBL18432213 | 0.78 | HPGD (0.71) | HPGDMEN1KMT2AABL1RIN1 | |
| SCHEMBL19852529 | 0.78 | HPGD (0.71) | HPGDMEN1KMT2AABL1RIN1 | |
| SCHEMBL60470 | 0.78 | HPGD (0.71) | HPGDMEN1KMT2AABL1RIN1 | |
| SCHEMBL2077166 | 0.78 | HPGD (0.71) | HPGDMEN1KMT2AABL1RIN1 | |
| SCHEMBL18097955 | 0.78 | HPGD (0.71) | HPGDMEN1KMT2AABL1RIN1 | |
| SCHEMBL3830876 | 0.78 | HPGD (0.71) | HPGDMEN1KMT2AABL1RIN1 |
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-0512831-B1 | Fibrinogen receptor antagonists | MERCK & CO INC (US) | 1999-09-22 | — | — | EP | disclosed |
| US-5455243-A | Anticoagulants | MERCK & CO., INC. (US) | 1995-10-03 | — | — | US | disclosed |
| US-5281585-A | Secondary amide containing antagonist | MERCK & CO., INC. (US) | 1994-01-25 | — | — | US | disclosed |
| WO-1992019595-A1 | FIBRINOGEN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1992-11-12 | — | — | WO | disclosed |
| EP-0512831-A1 | Fibrinogen receptor antagonists | MERCK & CO. INC. (US) | 1992-11-11 | — | — | EP | disclosed |