Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTRA1 | Q92743 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | TACR1 | P25103 | 5/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | RORC | P51449 | 3/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 3/20 | 0.35 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.35 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 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 | |
|---|---|---|---|---|
| SCHEMBL19995593 | 1.00 | HTRA1 (0.44) | HTRA1CYP1A2POLBCYP3A4CYP2C19 | |
| SCHEMBL19995596 | 1.00 | HTRA1 (0.44) | HTRA1CYP1A2POLBCYP3A4CYP2C19 | |
| SCHEMBL19995555 | 1.00 | HTRA1 (0.44) | HTRA1CYP1A2POLBCYP3A4CYP2C19 | |
| SCHEMBL2379316 | 0.87 | HTRA1 (0.49) | HTRA1CYP1A2POLBCYP3A4CYP2C19 | |
| SCHEMBL29035325 | 0.87 | HTRA1 (0.49) | HTRA1CYP1A2POLBCYP3A4CYP2C19 | |
| SCHEMBL25365634 | 0.87 | HTRA1 (0.49) | HTRA1CYP1A2POLBCYP3A4CYP2C19 | |
| SCHEMBL1827825 | 0.87 | HTRA1 (0.49) | HTRA1CYP1A2POLBCYP3A4CYP2C19 | |
| SCHEMBL24645319 | 0.87 | HTRA1 (0.49) | HTRA1CYP1A2POLBCYP3A4CYP2C19 | |
| SCHEMBL23454767 | 0.84 | CYP1A2 (0.38) | HTRA1CYP1A2POLBCYP3A4CYP2C19 | |
| SCHEMBL21527811 | 0.84 | CYP1A2 (0.38) | HTRA1CYP1A2POLBCYP3A4CYP2C19 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3515433-A1 | BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-B-HYDROXYLASE INHIBITORS | BIAL - PORTELA & Cª, S.A. (PT) | 2019-07-31 | — | — | EP | disclosed |
| EP-3515917-A1 | DOPAMINE-B-HYDROXYLASE INHIBITORS | BIAL - PORTELA & Cª, S.A. (PT) | 2019-07-31 | — | — | EP | disclosed |
| 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 |