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 | |
|---|---|---|---|---|
| ▸ | P4HA1 | P13674 | 3/20 | 0.57 |
| ▸ | P4HTM | Q9NXG6 | 2/20 | 0.57 |
| ▸ | MIF | P14174 | 1/20 | 0.55 |
| ▸ | GABRP | O00591 | 1/20 | 0.53 |
| ▸ | GABRD | O14764 | 1/20 | 0.53 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.53 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.53 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.53 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.53 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.53 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.53 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.53 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.53 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.53 |
| ▸ | GABRE | P78334 | 1/20 | 0.53 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.53 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.53 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.53 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.53 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL565986 | 0.96 | P4HA1 (0.61) | P4HA1P4HTMMIFGABRPGABRD | |
| SCHEMBL27909687 | 0.80 | RXFP1 (0.44) | P4HA1P4HTMMIFGABRPGABRD | |
| SCHEMBL14224160 | 0.80 | MKNK1 (0.53) | TPMTTP53TSHR | |
| SCHEMBL7319095 | 0.77 | NAPRT (0.45) | P4HA1P4HTMMIFGABRPGABRD | |
| SCHEMBL8219501 | 0.77 | KCNJ1 (0.46) | P4HA1P4HTMMIFGABRPGABRD | |
| SCHEMBL20255463 | 0.77 | NNMT (0.61) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL25574596 | 0.76 | RXRA (0.49) | P4HA1P4HTMMIFMAPT | |
| SCHEMBL25574454 | 0.76 | ALDH1A1 (0.46) | P4HA1P4HTMALDH1A1TPMTTP53 | |
| SCHEMBL68560 | 0.73 | P4HTM (1.00) | P4HA1P4HTMMIFGABRPGABRD | |
| SCHEMBL29397057 | 0.73 | P4HTM (1.00) | P4HA1P4HTMMIFGABRPGABRD |
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 |
|---|---|---|---|---|---|---|---|
| EP-1042313-A1 | BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES HAVING RETINOID ANTAGONIST LIKE ACTIVITY | Allergan Sales, Inc. (US) | 2000-10-11 | — | — | EP | disclosed |
| EP-0991636-A1 | SYNTHESIS AND USE OF RETINOID COMPOUNDS HAVING NEGATIVE HORMONE AND/OR ANTAGONIST ACTIVITIES | Allergan Sales, Inc. (US) | 2000-04-12 | — | — | EP | disclosed |
| WO-1999033821-A1 | BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES HAVING RETINOID ANTAGONIST-LIKE ACTIVITY | ALLERGAN SALES, INC. (US) | 1999-07-08 | — | — | WO | disclosed |
| WO-1998058922-A1 | SYNTHESIS AND USE OF RETINOID COMPOUNDS HAVING NEGATIVE HORMONE AND/OR ANTAGONIST ACTIVITIES | ALLERGAN SALES, INC. (US) | 1998-12-30 | — | — | WO | disclosed |