Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 1/20 | 0.54 |
| ▸ | HTR1A | P08908 | 3/20 | 0.51 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.51 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.51 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.51 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.51 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.46 |
| ▸ | SCN4A | P35499 | 1/20 | 0.46 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.45 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | GFER | P55789 | 1/20 | 0.45 |
| ▸ | YWHAG | P61981 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6629017 | 0.89 | HTR3A (0.46) | LTA4HHTR1AMAPK8MAPK10SCN9A | |
| SCHEMBL6630884 | 0.80 | LTA4H (0.60) | LTA4HHTR1ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL11908418 | 0.78 | ALDH1A1 (0.59) | KDM4EMEN1MAPTTHRBALOX15 | |
| SCHEMBL1450313 | 0.77 | NPC1 (0.70) | HTR1AKDM4EMAPTHSD17B10NPC1 | |
| SCHEMBL16613220 | 0.77 | LTA4H (0.58) | LTA4HHTR1AMAPK8MAPK10SCN9A | |
| SCHEMBL11217216 | 0.76 | HSD17B10 (0.53) | KDM4EMEN1MAPTTHRBALOX15 | |
| Hydrochloric Acid SCHEMBL16597755 | 0.76 | LTA4H (0.56) | LTA4HHTR1AMAPK8MAPK10SCN9A | |
| Hydrochloric Acid SCHEMBL27658727 | 0.76 | NPC1 (0.68) | HTR1AKDM4EMAPTHSD17B10NPC1 | |
| SCHEMBL28881569 | 0.76 | BTK (0.70) | LTA4HHTR1ASLC6A4MAPK8MAPK10 | |
| SCHEMBL29987229 | 0.76 | BTK (0.70) | LTA4HHTR1ASLC6A4MAPK8MAPK10 |
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-1389194-A2 | INHIBITORS OF BACE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2004-02-18 | — | — | EP | disclosed |
| WO-2002088101-A2 | INHIBITORS OF BACE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-11-07 | — | — | WO | disclosed |