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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.53 |
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL61965 | 0.98 | SMN1; SMN2 (0.54) | SMN1; SMN2NPC1RAB9AHTTL3MBTL1 | |
| Iodide SCHEMBL2453858 | 0.86 | EPHX1 (0.52) | SMN1; SMN2NPC1RAB9AHTTL3MBTL1 | |
| SCHEMBL2454941 | 0.84 | EPHX1 (0.53) | SMN1; SMN2NPC1RAB9AHTTL3MBTL1 | |
| Iodide SCHEMBL6340120 | 0.78 | ALDH1A1 (0.47) | SMN1; SMN2NPC1RAB9AHTTGAA | |
| SCHEMBL18286554 | 0.77 | GAA (0.57) | SMN1; SMN2NPC1RAB9AHTTL3MBTL1 | |
| SCHEMBL27699202 | 0.76 | IDO1 (0.55) | GAAALDH1A1LMNA | |
| Iodide SCHEMBL10827679 | 0.76 | TDP1 (0.48) | NPC1RAB9AHTTALDH1A1KMT2A | |
| SCHEMBL7670022 | 0.76 | ALDH1A1 (0.48) | SMN1; SMN2NPC1RAB9AHTTGAA | |
| SCHEMBL11834166 | 0.75 | GAA (0.51) | SMN1; SMN2NPC1RAB9AHTTL3MBTL1 | |
| Iodide SCHEMBL3533967 | 0.75 | KDR (0.59) | SMN1; SMN2HTTGAAALDH1A1KMT2A |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3354646-A1 | ISOINDOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER | Celgene Corporation (US) | 2018-08-01 | — | — | EP | disclosed |
| EP-2985281-B1 | ISOINDOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER | CELGENE CORP (US) | 2017-12-27 | — | — | EP | disclosed |
| US-9796698-B2 | Isoindoline compounds and methods of their use | CELGENE CORPORATION (US) | 2017-10-24 | — | — | US | disclosed |
| US-20170088538-A1 | ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE | CELGENE CORPORATION | 2017-03-30 | — | — | US | disclosed |
| US-9550766-B2 | Isoindoline compounds and methods of their use | CELGENE CORPORATION (US) | 2017-01-24 | — | — | US | disclosed |
| US-20160115161-A1 | ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE | CELGENE CORPORATION | 2016-04-28 | — | — | US | disclosed |
| EP-2985281-A2 | ISOINDOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER | Celgene Corporation (US) | 2016-02-17 | — | — | EP | disclosed |
| US-9227954-B2 | Isoindoline compounds and methods of their use | CELGENE CORPORATION (US) | 2016-01-05 | — | — | US | disclosed |
| US-20130045976-A1 | ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE | CELGENE CORPORATION (US) | 2013-02-21 | — | — | US | disclosed |
| US-8318773-B2 | Isoindoline compounds and methods of their use | CELGENE CORPORATION (US) | 2012-11-27 | — | — | US | disclosed |
| US-20120252843-A1 | ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE | CELGENE CORPORATION | 2012-10-04 | — | — | US | disclosed |
| US-8222249-B2 | Isoindoline compounds and methods of their use | CELGENE CORPORATION (US) | 2012-07-17 | — | — | US | disclosed |
| US-20120122865-A1 | ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE | CELGENE CORPORATION | 2012-05-17 | — | — | US | disclosed |
| US-8129375-B2 | Isoindoline compounds and methods of their use | CELGENE CORPORATION (US) | 2012-03-06 | — | — | US | disclosed |
| EP-2358697-A1 | Isoindoline compounds for use in the treatment of cancer | CELGENE CORPORATION (US) | 2011-08-24 | — | — | EP | disclosed |
| US-20100204227-A1 | ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE | CELGENE CORPORATION | 2010-08-12 | — | — | US | disclosed |
| WO-2010053732-A1 | ISOINDOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER | CELGENE CORPORATION (US) | 2010-05-14 | — | — | 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 (6 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-20170088538-A1 | ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE | CPT1A, CYP11B2, NPC1 | SMN1; SMN2 997/4885NPC1 3/4885RAB9A 2154/4885 |
| US-20100204227-A1 | ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE | CPT1A, CYP11B2, NPC1 | SMN1; SMN2 997/4885NPC1 3/4885RAB9A 2154/4885 |
| US-20120252843-A1 | ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE | CPT1A, CYP11B2, NPC1 | SMN1; SMN2 997/4885NPC1 3/4885RAB9A 2154/4885 |
| US-20120122865-A1 | ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE | CPT1A, CYP11B2, NPC1 | SMN1; SMN2 997/4885NPC1 3/4885RAB9A 2154/4885 |
| US-20130045976-A1 | ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE | CPT1A, CYP11B2, NPC1 | SMN1; SMN2 997/4885NPC1 3/4885RAB9A 2154/4885 |
| US-20160115161-A1 | ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE | CPT1A, CYP11B2, NPC1 | SMN1; SMN2 997/4885NPC1 3/4885RAB9A 2154/4885 |
“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.