Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.54 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.51 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.51 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.51 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.49 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7091162 | 0.84 | MAPT (0.58) | ALDH1A1L3MBTL1LMNAGAAMEN1 | |
| SCHEMBL8792470 | 0.80 | ALDH1A1 (0.71) | ALDH1A1L3MBTL1TRPV1ERCC1ERCC4 | |
| SCHEMBL1661081 | 0.78 | TRPV1 (0.76) | ALDH1A1L3MBTL1TRPV1ERCC1ERCC4 | |
| SCHEMBL5299504 | 0.76 | HCAR2 (0.53) | ALDH1A1CYP2C9 | |
| SCHEMBL25046063 | 0.76 | ALDH1A1 (0.71) | ALDH1A1L3MBTL1TRPV1ERCC1ERCC4 | |
| SCHEMBL29171580 | 0.76 | ALDH1A1 (0.71) | ALDH1A1L3MBTL1TRPV1ERCC1ERCC4 | |
| SCHEMBL7030338 | 0.75 | CA12 (0.67) | ALDH1A1L3MBTL1TRPV1ERCC1ERCC4 | |
| SCHEMBL5177117 | 0.75 | ALDH1A1 (0.66) | ALDH1A1L3MBTL1TRPV1ERCC1ERCC4 | |
| SCHEMBL7600977 | 0.74 | F10 (0.58) | SCN9A | |
| SCHEMBL1894742 | 0.74 | TRPV1 (0.82) | ALDH1A1L3MBTL1TRPV1ERCC1ERCC4 |
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-1341755-A1 | CARBOXYLIC ACID AMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF THROMBOEMBOLIC DISEASES AND TUMOURS | MERCK PATENT GmbH (DE) | 2003-09-10 | — | — | EP | disclosed |
| WO-2002048099-A1 | CARBOXYLIC ACID AMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF THROMBOEMBOLIC DISEASES AND TUMOURS | MERCK PATENT GMBH (DE) | 2002-06-20 | — | — | WO | disclosed |