Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27275008 | 0.82 | HCRTR2 (0.47) | ALDH1A1KMT2AGAAMAPTMEN1 | |
| SCHEMBL20005947 | 0.80 | HTRA1 (0.50) | KMT2AMEN1HCRTR2 | |
| SCHEMBL21053051 | 0.80 | HCRTR2 (0.33) | RIPK1HCRTR2 | |
| SCHEMBL12604444 | 0.78 | BRD4 (0.38) | AKR1C3AKR1C1GRIN2BALDH1A1POLB | |
| SCHEMBL9980195 | 0.78 | BRD4 (0.38) | AKR1C3AKR1C1GRIN2BALDH1A1POLB | |
| SCHEMBL25362718 | 0.77 | AKR1C3 (0.41) | AKR1C3AKR1C1GRIN2BALDH1A1POLB | |
| SCHEMBL5576810 | 0.77 | AKR1C3 (0.41) | AKR1C3AKR1C1GRIN2BALDH1A1POLB | |
| SCHEMBL25362834 | 0.77 | AKR1C3 (0.41) | AKR1C3AKR1C1GRIN2BALDH1A1POLB | |
| SCHEMBL25363009 | 0.76 | AKR1C3 (0.47) | AKR1C3AKR1C1GRIN2BALDH1A1 | |
| SCHEMBL6695511 | 0.76 | AKR1C3 (0.47) | AKR1C3AKR1C1GRIN2BALDH1A1 |
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-3515433-A1 | BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-B-HYDROXYLASE INHIBITORS | BIAL - PORTELA & Cª, S.A. (PT) | 2019-07-31 | — | — | EP | disclosed |
| WO-2018056854-A1 | BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-B-HYDROXYLASE INHIBITORS | BIAL - PORTELA & Cª, S.A. (PT) | 2018-03-29 | — | — | WO | disclosed |