Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.31 |
| ▸ | ATM | Q13315 | 2/20 | 0.31 |
| ▸ | MAOA | P21397 | 4/20 | 0.31 |
| ▸ | HTR2C | P28335 | 2/20 | 0.31 |
| ▸ | HTR2B | P41595 | 2/20 | 0.31 |
| ▸ | EGFR | P00533 | 1/20 | 0.30 |
| ▸ | MAOB | P27338 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4626775 | 0.79 | — | — | |
| SCHEMBL8021802 | 0.70 | KDM4E (0.41) | NPC1MAPTRAB9A | |
| Hydrochloric Acid SCHEMBL1824918 | 0.69 | MEN1 (0.47) | NPC1MAPTRAB9AATM | |
| Iodide SCHEMBL1776694 | 0.69 | MEN1 (0.50) | NPC1MAPTRAB9AATM | |
| Perchlorate SCHEMBL7250930 | 0.66 | KDM4E (0.41) | NPC1MAPTRAB9A | |
| SCHEMBL12364569 | 0.61 | MEN1 (0.46) | NPC1RAB9AATM | |
| SCHEMBL9740454 | 0.61 | ALOX5 (0.57) | NPC1MAPTRAB9AALOX5AR | |
| Iodide SCHEMBL8916940 | 0.60 | MEN1 (0.49) | NPC1MAPTRAB9AATM | |
| SCHEMBL22738467 | 0.60 | ALDH1A1 (0.37) | MAPTRAB9AATM | |
| SCHEMBL9453226 | 0.58 | MAPT (0.35) | NPC1MAPTRAB9AMAOA |
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-6790239-B1 | COMBINATION OF AROMATIC ALDEHYDES OR KETONES AND CH-ACTIVE COMPOUNDS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2004-09-14 | — | — | US | disclosed |