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 | |
|---|---|---|---|---|
| ▸ | SPHK2 | Q9NRA0 | 6/20 | 0.59 |
| ▸ | SPHK1 | Q9NYA1 | 6/20 | 0.59 |
| ▸ | CETP | P11597 | 6/20 | 0.59 |
| ▸ | MEN1 | O00255 | 5/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.59 |
| ▸ | MAPT | P10636 | 4/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.59 |
| ▸ | THRB | P10828 | 3/20 | 0.59 |
| ▸ | GMNN | O75496 | 2/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | GLA | P06280 | 2/20 | 0.59 |
| ▸ | POLB | P06746 | 2/20 | 0.59 |
| ▸ | CXCR5 | P32302 | 2/20 | 0.59 |
| ▸ | CCR6 | P51684 | 2/20 | 0.59 |
| ▸ | BLM | P54132 | 2/20 | 0.59 |
| ▸ | UBE2N | P61088 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | TP53 | P04637 | 2/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL1512942 | 0.98 | SPHK2 (0.61) | SPHK2SPHK1CETPMEN1KMT2A | |
| SCHEMBL22986833 | 0.98 | SPHK2 (0.61) | SPHK2SPHK1CETPMEN1KMT2A | |
| SCHEMBL15235841 | 0.98 | SPHK2 (0.61) | SPHK2SPHK1CETPMEN1KMT2A | |
| Phosphoric Acid SCHEMBL6665386 | 0.91 | MAPT (0.54) | SPHK2SPHK1CETPMEN1KMT2A | |
| SCHEMBL11895494 | 0.78 | SPHK2 (0.69) | SPHK2SPHK1CETPMEN1KMT2A | |
| SCHEMBL19135705 | 0.76 | SPHK2 (0.67) | SPHK2SPHK1CETPMEN1KMT2A | |
| SCHEMBL16085653 | 0.76 | SPHK2 (0.67) | SPHK2SPHK1CETPMEN1KMT2A | |
| SCHEMBL12857079 | 0.76 | SPHK2 (0.67) | SPHK2SPHK1CETPMEN1KMT2A | |
| SCHEMBL15746569 | 0.76 | SPHK2 (0.67) | SPHK2SPHK1CETPMEN1KMT2A | |
| SCHEMBL16273932 | 0.76 | SPHK2 (0.67) | SPHK2SPHK1CETPMEN1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1291340-B1 | Phytosphingosine derivatives with antitumor activity | CHARMZONE CO LTD (KR) | 2006-03-15 | — | — | EP | disclosed |
| US-6538032-B1 | The present invention relates to an antitumor agent containing a phytosphingosine derivative, and more specifically, to an antitumor agent containing a phytosphingosine derivative of formula I as an active | CHARMZONE CO., LTD. (KR) | 2003-03-25 | — | — | US | disclosed |
| EP-1291340-A1 | Phytosphingosine derivatives with antitumor activity | CHARMZONE CO., LTD (KR) | 2003-03-12 | — | — | EP | disclosed |