Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.46 |
| ▸ | RAB9A | P51151 | 5/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | SHBG | P04278 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | USP2 | O75604 | 2/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Octrizole SCHEMBL15508 | 0.89 | NPC1 (0.56) | NPC1RAB9ALMNACYP3A4CYP2D6 | |
| Octrizole SCHEMBL28983126 | 0.89 | NPC1 (0.56) | NPC1RAB9ALMNACYP3A4CYP2D6 | |
| Octrizole SCHEMBL29349945 | 0.89 | NPC1 (0.56) | NPC1RAB9ALMNACYP3A4CYP2D6 | |
| Octrizole SCHEMBL30315837 | 0.88 | NPC1 (0.55) | NPC1RAB9ALMNACYP3A4CYP2D6 | |
| Octrizole SCHEMBL8614902 | 0.87 | NPC1 (0.51) | NPC1RAB9ALMNACYP3A4CYP2D6 | |
| Octrizole SCHEMBL5547097 | 0.86 | NPC1 (0.52) | NPC1RAB9ALMNACYP3A4CYP2D6 | |
| Octrizole SCHEMBL12076352 | 0.84 | NPC1 (0.68) | NPC1RAB9ALMNACYP3A4CYP2D6 | |
| SCHEMBL8390136 | 0.83 | NPC1 (0.49) | NPC1RAB9ALMNACYP3A4CYP2D6 | |
| SCHEMBL4253904 | 0.81 | NPC1 (0.50) | NPC1RAB9ALMNACYP3A4PPARG | |
| Octrizole SCHEMBL28124262 | 0.81 | NPC1 (0.40) | NPC1RAB9ALMNACYP3A4CYP2D6 |
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-1926367-A1 | STABILIZATION OF IODINE BIOCIDES | Lanxess Deutschland GmbH & Co.KG (DE) | 2008-06-04 | — | — | EP | disclosed |
| WO-2007028527-A1 | STABILIZATION OF IODINE BIOCIDES | LANXESS DEUTSCHLAND GMBH (DE) | 2007-03-15 | — | — | WO | disclosed |