Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.55 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.54 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.54 |
| ▸ | MAOA | P21397 | 1/20 | 0.54 |
| ▸ | MAOB | P27338 | 1/20 | 0.54 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.53 |
| ▸ | F10 | P00742 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL6988819 | 0.88 | SIGMAR1 (0.66) | ALDH1A1SIGMAR1EPHX2 | |
| SCHEMBL27904589 | 0.83 | SIGMAR1 (0.60) | SIGMAR1EPHX2MAOAMAOBEPHX1 | |
| SCHEMBL4180735 | 0.83 | EPHX2 (0.69) | SIGMAR1EPHX2EPHX1 | |
| SCHEMBL15533318 | 0.82 | SIGMAR1 (0.59) | SIGMAR1EPHX2MAOAMAOBEPHX1 | |
| SCHEMBL5504017 | 0.81 | SIGMAR1 (0.82) | SIGMAR1EPHX2MAOAMAOBEPHX1 | |
| SCHEMBL17705940 | 0.80 | EPHX2 (0.75) | ALDH1A1EPHX2EPHX1 | |
| SCHEMBL28554753 | 0.80 | EPHX2 (0.80) | ALDH1A1EPHX2EPHX1 | |
| SCHEMBL19464782 | 0.79 | ALDH1A1 (0.53) | ALDH1A1EPHX2ACKR3EPHX1F10 | |
| SCHEMBL3455859 | 0.79 | EPHX2 (0.83) | ALDH1A1EPHX2EPHX1 | |
| SCHEMBL13169536 | 0.79 | EPHX2 (0.83) | ALDH1A1EPHX2EPHX1 |
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 |