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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 9/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.30 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4114480 | 0.99 | PGR (0.40) | PGRARKDM4EKDM1AKCNH2 | |
| SCHEMBL4115324 | 0.81 | PGR (0.49) | PGRKDM4EKCNH2CYP11B2CYP19A1 | |
| SCHEMBL4099499 | 0.79 | PGR (0.40) | PGRKDM4EKCNH2CYP11B2CYP19A1 | |
| SCHEMBL4098180 | 0.79 | PGR (0.40) | PGRKDM4EKCNH2CYP11B2CYP19A1 | |
| SCHEMBL4098757 | 0.79 | PGR (0.47) | PGRKDM4EKCNH2CYP11B2CYP19A1 | |
| SCHEMBL4109819 | 0.78 | PGR (0.40) | PGRKDM4EKCNH2PTGDR2LMNA | |
| SCHEMBL4104251 | 0.78 | PGR (0.40) | PGR | |
| SCHEMBL4104526 | 0.78 | PGR (0.40) | PGRKDM4EKCNH2CYP11B2PTGDR2 | |
| SCHEMBL4098163 | 0.78 | PGR (0.42) | PGRKCNH2CYP11B2CYP19A1PTGDR2 | |
| SCHEMBL4106530 | 0.78 | PGR (0.49) | PGRKDM4EKCNH2CYP11B2CYP19A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1874732-A1 | PYRAZOLE DERIVATIVES AS PROGESTERONE RECEPTOR ANTAGONISTS | Pfizer Limited (GB) | 2008-01-09 | — | — | EP | disclosed |
| WO-2006111856-A1 | PYRAZOLE DERIVATIVES AS PROGESTERONE RECEPTOR ANTAGONISTS | PFIZER LIMITED (GB) | 2006-10-26 | — | — | WO | disclosed |