Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | HSF1 | Q00613 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 4/20 | 0.45 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11329600 | 0.94 | CYP2D6 (0.46) | TSHRCYP2D6HIF1AKDM4EHSF1 | |
| SCHEMBL11470041 | 0.82 | TSHR (0.53) | TSHRCYP2D6HIF1AKDM4EHSF1 | |
| Hydrochloric Acid SCHEMBL11318228 | 0.81 | CYP2D6 (0.52) | TSHRCYP2D6HIF1AKDM4EHSF1 | |
| SCHEMBL11462016 | 0.81 | KDM4E (0.52) | TSHRCYP2D6HIF1AKDM4EHSF1 | |
| SCHEMBL5698930 | 0.80 | TSHR (0.57) | TSHRCYP2D6HIF1AKDM4EHSF1 | |
| Hydrochloric Acid SCHEMBL11332103 | 0.80 | KDM4E (0.51) | TSHRCYP2D6HIF1AKDM4EHSF1 | |
| SCHEMBL11464361 | 0.78 | TSHR (0.54) | TSHRCYP2D6HIF1AKDM4EHSF1 | |
| SCHEMBL11329632 | 0.78 | ADRB2 (0.52) | CYP2D6 | |
| Hydrochloric Acid SCHEMBL11318009 | 0.77 | TSHR (0.53) | TSHRCYP2D6HIF1AKDM4EHSF1 | |
| Hydrochloric Acid SCHEMBL11329028 | 0.77 | CYP2D6 (0.47) | TSHRCYP2D6HIF1AKDM4EHSF1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4187220-A | New O-(3-amino-2-hydroxy-propyl)-amidoxime derivatives, process for the preparation thereof and pharmaceutical compositions containing same | CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA R.T. (HU) | 1980-02-05 | — | — | US | claimed |