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 | |
|---|---|---|---|---|
| ▸ | F2 | P00734 | 5/20 | 0.57 |
| ▸ | ST14 | Q9Y5Y6 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | FABP1 | P07148 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | PKLR | P30613 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | NTSR1 | P30989 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7358299 | 0.88 | F2 (0.63) | F2ST14ALDH1A1MEN1KMT2A | |
| SCHEMBL7354443 | 0.87 | PKLR (0.47) | F2ALDH1A1TP53HTTFABP1 | |
| SCHEMBL7350234 | 0.83 | F2 (0.60) | F2ST14ALDH1A1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL7359991 | 0.81 | F2 (0.59) | F2ST14ALDH1A1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL7357818 | 0.81 | F2 (0.57) | F2ST14ALDH1A1TP53HTT | |
| Iodide SCHEMBL7350707 | 0.80 | F2 (0.57) | F2ST14 | |
| SCHEMBL7354601 | 0.79 | F2 (0.59) | F2ST14ALDH1A1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL7351752 | 0.78 | F2 (0.59) | F2ST14ALDH1A1MEN1KMT2A | |
| SCHEMBL7352541 | 0.77 | PKLR (0.48) | F2ALDH1A1TP53HTTFABP1 | |
| SCHEMBL7353803 | 0.76 | PKLR (0.47) | F2ALDH1A1TP53HTTFABP1 |
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-1999028297-A1 | SUBSTITUTED INDOLES, HAVING A THROMBIN INHIBITING EFFECT | BOEHRINGER INGELHEIM PHARMA KG (DE) | 1999-06-10 | — | — | WO | disclosed |