Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 7/20 | 0.60 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.57 |
| ▸ | RAB9A | P51151 | 3/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.57 |
| ▸ | NPC1 | O15118 | 2/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL13625190 | 0.90 | EPHX1 (0.65) | EPHX1EPHX2RAB9ASMN1; SMN2NPC1 | |
| SCHEMBL1690703 | 0.88 | EPHX1 (0.69) | EPHX1EPHX2 | |
| SCHEMBL11176970 | 0.87 | ALDH1A1 (0.56) | EPHX1EPHX2RAB9ASMN1; SMN2NPC1 | |
| SCHEMBL23211152 | 0.85 | NAAA (0.48) | EPHX1EPHX2RAB9ASMN1; SMN2NPC1 | |
| SCHEMBL7198149 | 0.84 | EPHX1 (0.81) | EPHX1EPHX2RAB9ATSHRALDH1A1 | |
| SCHEMBL8393719 | 0.83 | EPHX1 (0.84) | EPHX1EPHX2RAB9ATSHRALDH1A1 | |
| SCHEMBL1424064 | 0.83 | EPHX1 (0.84) | EPHX1EPHX2RAB9ATSHRALDH1A1 | |
| Bicarbonate SCHEMBL6203780 | 0.82 | EPHX1 (0.82) | EPHX1EPHX2RAB9ATSHRALDH1A1 | |
| Cyclobutylcarbamic Acid Benzyl Ester SCHEMBL332814 | 0.81 | EPHX1 (0.76) | EPHX1EPHX2TSHRALDH1A1GAA | |
| Methyl Alcohol SCHEMBL6780968 | 0.81 | EPHX1 (0.80) | EPHX1EPHX2RAB9ATSHRALDH1A1 |
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-1322596-A1 | ZWITTERIONIC TACHYKININ RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2003-07-02 | — | — | EP | disclosed |
| WO-2002024629-A1 | ZWITTERIONIC TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2002-03-28 | — | — | WO | disclosed |