Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
| ▸ | NPY1R | P25929 | 1/20 | 0.34 |
| ▸ | NPY2R | P49146 | 1/20 | 0.34 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15261624 | 0.83 | MMP8 (0.42) | SMN1; SMN2MMP8TDP1TSHRMAPK1 | |
| SCHEMBL15261954 | 0.78 | MMP8 (0.39) | MMP8TDP1TSHRMAPK1L3MBTL1 | |
| SCHEMBL490688 | 0.77 | CA12 (0.52) | SMN1; SMN2MMP8TDP1TSHRMAPK1 | |
| SCHEMBL5475645 | 0.77 | MMP8 (0.52) | MMP8TDP1TSHRMAPK1L3MBTL1 | |
| SCHEMBL2427303 | 0.76 | MEN1 (0.40) | SMN1; SMN2MMP8TDP1ALDH1A1TP53 | |
| SCHEMBL7436472 | 0.76 | MMP8 (0.54) | MMP8TDP1MAPK1ALDH1A1TP53 | |
| SCHEMBL2428247 | 0.75 | MDM2 (0.39) | SMN1; SMN2MMP8TDP1TSHRMAPK1 | |
| SCHEMBL2428438 | 0.73 | CYP3A4 (0.39) | MMP8TDP1TSHRMAPK1L3MBTL1 | |
| SCHEMBL15262664 | 0.73 | MDM2 (0.38) | SMN1; SMN2MMP8TDP1TSHRMAPK1 | |
| SCHEMBL1312803 | 0.73 | MMP8 (0.62) | SMN1; SMN2MMP8TDP1TSHRMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018056855-A1 | DOPAMINE-B-HYDROXYLASE INHIBITORS | BIAL - PORTELA & Cª, S.A. (PT) | 2018-03-29 | — | — | WO | disclosed |
| WO-2018056854-A1 | BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-B-HYDROXYLASE INHIBITORS | BIAL - PORTELA & Cª, S.A. (PT) | 2018-03-29 | — | — | WO | disclosed |