Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | CTSD | P07339 | 2/20 | 0.43 |
| ▸ | BACE1 | P56817 | 2/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | TACR1 | P25103 | 1/20 | 0.43 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | NOS3 | P29474 | 1/20 | 0.42 |
| ▸ | NOS1 | P29475 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.42 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.42 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7262844 | 0.85 | KLK5 (0.50) | — | |
| SCHEMBL6575361 | 0.84 | MAPT (0.44) | KDM4EALDH1A1PIK3CDPIK3CAPIK3CB | |
| SCHEMBL6575357 | 0.84 | MAPT (0.44) | KDM4EALDH1A1PIK3CDPIK3CAPIK3CB | |
| Hydrochloric Acid SCHEMBL6574263 | 0.83 | MAPT (0.43) | KDM4EALDH1A1PIK3CDPIK3CAPIK3CB | |
| SCHEMBL6573776 | 0.82 | FCER2 (0.42) | KDM4EATMPOLBGFERCAPN1 | |
| SCHEMBL16632664 | 0.79 | MAPT (0.42) | KDM4EALDH1A1MAPT | |
| SCHEMBL7256083 | 0.78 | CAPN1 (0.46) | KDM4ECAPN1ALDH1A1PIK3CDPIK3CA | |
| Hydrochloric Acid SCHEMBL6574264 | 0.77 | CAPN1 (0.45) | KDM4ECAPN1ALDH1A1PIK3CDPIK3CA | |
| SCHEMBL18472617 | 0.76 | NOS2 (0.65) | KDM4EATMTACR1ALDH1A1THRB | |
| SCHEMBL7221067 | 0.76 | NOS2 (0.65) | KDM4EATMTACR1ALDH1A1THRB |
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-1474405-A2 | PROCESS FOR THE PREPARATION OF 4-HETERO-SUBSTITUTED PHENYLALANINE DERIVATIVES | GLAXO GROUP LIMITED (GB) | 2004-11-10 | — | — | EP | disclosed |
| WO-2003068725-A2 | PROCESS FOR THE PREPARATION OF 4-HETERO-SUBSTITUTED PHENYLALANINE DERIVATIVES | GLAXO GROUP LIMITED (GB) | 2003-08-21 | — | — | WO | disclosed |