Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.45 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 4/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | JAK1 | P23458 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.37 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.37 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.37 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7131093 | 1.00 | EPHX1 (0.45) | EPHX1CACNA1HMAOAMAOBDRD2 | |
| SCHEMBL7345920 | 0.91 | MAOA (0.47) | EPHX1MAOAMAOBDRD2TDP1 | |
| SCHEMBL29552567 | 0.89 | ACHE (0.47) | EPHX1MAOAMAOBDRD2TDP1 | |
| SCHEMBL18851364 | 0.88 | EPHX1 (0.46) | EPHX1CACNA1HDRD2TDP1MEN1 | |
| SCHEMBL20545129 | 0.88 | EPHX1 (0.46) | EPHX1CACNA1HDRD2TDP1MEN1 | |
| SCHEMBL18851365 | 0.88 | EPHX1 (0.46) | EPHX1CACNA1HDRD2TDP1MEN1 | |
| SCHEMBL22151747 | 0.87 | EPHX1 (0.45) | EPHX1CACNA1HDRD2TDP1MEN1 | |
| SCHEMBL337969 | 0.87 | EPHX1 (0.45) | EPHX1CACNA1HDRD2TDP1MEN1 | |
| SCHEMBL22151806 | 0.84 | ALDH1A1 (0.51) | EPHX1CACNA1HDRD2MEN1KMT2A | |
| SCHEMBL3266228 | 0.83 | EPHX1 (0.43) | EPHX1MAOAMAOBDRD2TDP1 |
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 |