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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 1/20 | 0.42 |
| ▸ | METAP1 | P53582 | 2/20 | 0.38 |
| ▸ | METAP2 | P50579 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | PDE5A | O76074 | 2/20 | 0.35 |
| ▸ | AURKA | O14965 | 5/20 | 0.34 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.33 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL40861 | 0.98 | — | — | |
| SCHEMBL29376620 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL29236109 | 0.96 | NUDT1 (0.42) | NUDT1METAP1METAP2PARP1PDE5A | |
| SCHEMBL27759739 | 0.96 | NUDT1 (0.42) | NUDT1METAP1METAP2PARP1PDE5A | |
| SCHEMBL8038689 | 0.96 | NUDT1 (0.42) | NUDT1METAP1METAP2PARP1PDE5A | |
| SCHEMBL21990259 | 0.96 | NUDT1 (0.42) | NUDT1METAP1METAP2PARP1PDE5A | |
| SCHEMBL28611928 | 0.96 | NUDT1 (0.42) | NUDT1METAP1METAP2PARP1PDE5A | |
| Pyrazine SCHEMBL27939229 | 0.92 | NUDT1 (0.40) | NUDT1METAP1METAP2PARP1PDE5A | |
| SCHEMBL29948103 | 0.92 | NUDT1 (0.40) | NUDT1METAP1METAP2PARP1PDE5A | |
| SCHEMBL937094 | 0.90 | NUDT1 (0.39) | NUDT1METAP1METAP2PARP1PDE5A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9738642-B2 | Triazolopyridine ether derivatives and their use in neurological and pyschiatric disorders | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-08-22 | — | — | US | disclosed |
| US-20160237081-A1 | TRIAZOLOPYRIDINE ETHER DERIVATIVES AND THEIR USE IN NEUROLOGICAL AND PYSCHIATRIC DISORDERS | BRISTOL MYERS SQUIBB CO (US) | 2016-08-18 | — | — | US | disclosed |
| EP-3046922-A1 | TRIAZOLOPYRIDINE ETHER DERIVATIVES AND THEIR USE IN NEUROLOGICAL AND PYSCHIATRIC DISORDERS | Bristol-Myers Squibb Company (US) | 2016-07-27 | — | — | EP | disclosed |
| WO-2015042243-A1 | TRIAZOLOPYRIDINE ETHER DERIVATIVES AND THEIR USE IN NEUROLOGICAL AND PYSCHIATRIC DISORDERS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-03-26 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20160237081-A1 | TRIAZOLOPYRIDINE ETHER DERIVATIVES AND THEIR USE IN NEUROLOGICAL AND PYSCHIATRIC DISORDERS | GRM2, GRIK2, GRIA2 | NUDT1 3284/4885METAP1 2749/4885METAP2 854/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.