Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | GRN | P28799 | 4/20 | 0.45 |
| ▸ | SORT1 | Q99523 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | NPR3 | P17342 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5672221 | 0.87 | MAPT (0.49) | MAPTHTTGRNSORT1ALDH1A1 | |
| SCHEMBL5672212 | 0.82 | MAPT (0.42) | MAPTHTTGRNSORT1ALDH1A1 | |
| SCHEMBL5672153 | 0.80 | CXCR2 (0.44) | MAPTHTTGRNSORT1 | |
| SCHEMBL11779005 | 0.79 | ESR1 (0.46) | MAPTHTTALDH1A1MAPK1ESR1 | |
| SCHEMBL5672995 | 0.78 | MAPT (0.39) | MAPTHTTGRNSORT1ALDH1A1 | |
| SCHEMBL6827799 | 0.78 | MAPT (0.48) | MAPTHTTGRNSORT1ALDH1A1 | |
| SCHEMBL6824502 | 0.77 | ESR1 (0.41) | MAPTALDH1A1MAPK1ESR1KDM4E | |
| SCHEMBL6508736 | 0.74 | NPR3 (0.53) | CYP2C19CYP2C9NPR3 | |
| SCHEMBL6508740 | 0.74 | NPR3 (0.53) | CYP2C19CYP2C9NPR3 | |
| SCHEMBL20476318 | 0.73 | ALDH1A1 (0.51) | MAPTHTTALDH1A1ESR1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004069829-A1 | (2S)-2-((PYRIMIDIN-4-YL)AMINO)-4-METHYLPENTANOIC ACID AMINOETHYLAMID DERIVATIVES AS IL-8 RECEPTOR MODULATORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND RHEUMATOID ARTHRITIS | PHARMACOPEIA DRUG DISCOVERY, INC. (US) | 2004-08-19 | — | — | WO | disclosed |