Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.37 |
| ▸ | KLK7 | P49862 | 2/20 | 0.37 |
| ▸ | LDHA | P00338 | 1/20 | 0.37 |
| ▸ | CTSS | P25774 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL7307517 | 0.87 | ADAM17 (0.43) | ALDH1A1EPHX2CHRM2CTSKMEN1 | |
| SCHEMBL7308312 | 0.84 | ALDH1A1 (0.41) | ALDH1A1EPHX2CHRM2CTSKCPB2 | |
| SCHEMBL7304794 | 0.77 | EPHX2 (0.43) | ALDH1A1EPHX2CHRM2CTSKPOLB | |
| SCHEMBL2646192 | 0.71 | EPHX2 (0.48) | ALDH1A1EPHX2CPB2POLBKLK7 | |
| SCHEMBL7308194 | 0.71 | MMP3 (0.53) | ALDH1A1EPHX2CTSKKMT2AKLK7 | |
| SCHEMBL7300038 | 0.70 | LDHA (0.45) | ALDH1A1MEN1KMT2ALDHAHTT | |
| SCHEMBL726401 | 0.69 | LDHA (0.46) | ALDH1A1MEN1KMT2ALDHANPC1 | |
| SCHEMBL7310255 | 0.68 | EPHX2 (0.43) | ALDH1A1EPHX2CTSKPOLBKMT2A | |
| SCHEMBL7793120 | 0.68 | EPHX2 (0.54) | ALDH1A1EPHX2CPB2POLBKMT2A | |
| SCHEMBL1867699 | 0.67 | GCK (0.37) | ALDH1A1EPHX2CHRM2CTSKPOLB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0780386-B1 | Matrix metalloprotease inhibitors | HOFFMANN LA ROCHE (CH) | 2002-10-02 | — | — | EP | disclosed |
| US-5932595-A | ANTIARTHRITIC AGENT; MULTIPLE SCLEROSIS; OSTEOPOROSIS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTIULCER AGENT | SYNTEX (U.S.A.) INC. (US) | 1999-08-03 | — | — | US | disclosed |
| EP-0780386-A1 | Matrix metalloprotease inhibitors | F. HOFFMANN-LA ROCHE AG (CH) | 1997-06-25 | — | — | EP | disclosed |