Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | DRD2 | P14416 | 1/20 | 0.50 |
| ▸ | DRD1 | P21728 | 1/20 | 0.50 |
| ▸ | DRD4 | P21917 | 1/20 | 0.50 |
| ▸ | DRD5 | P21918 | 1/20 | 0.50 |
| ▸ | DRD3 | P35462 | 1/20 | 0.50 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 4/20 | 0.48 |
| ▸ | RAB9A | P51151 | 4/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.47 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL19995532 | 1.00 | ALDH1A1 (0.52) | ALDH1A1LMNAHPGDHIF1ADRD2 | |
| SCHEMBL19995815 | 0.92 | RAB9A (0.56) | ALDH1A1LMNAHPGDNPC1RAB9A | |
| SCHEMBL20005696 | 0.92 | RAB9A (0.56) | ALDH1A1LMNAHPGDNPC1RAB9A | |
| SCHEMBL19995564 | 0.92 | RAB9A (0.56) | ALDH1A1LMNAHPGDNPC1RAB9A | |
| SCHEMBL23009741 | 0.83 | ALDH1A1 (0.59) | ALDH1A1LMNAHPGDHIF1ADRD2 | |
| SCHEMBL27446535 | 0.83 | ALDH1A1 (0.59) | ALDH1A1LMNAHPGDHIF1ADRD2 | |
| SCHEMBL27878990 | 0.79 | ALDH1A1 (0.62) | ALDH1A1LMNAHPGDHIF1ADRD2 | |
| SCHEMBL3312540 | 0.79 | ALDH1A1 (0.62) | ALDH1A1LMNAHPGDHIF1ADRD2 | |
| SCHEMBL5230772 | 0.77 | ALDH1A1 (0.43) | ALDH1A1LMNAHPGDHIF1ADRD2 | |
| SCHEMBL5230779 | 0.77 | ALDH1A1 (0.43) | ALDH1A1LMNAHPGDHIF1ADRD2 |
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 |