Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 8/20 | 0.43 |
| ▸ | NPC1 | O15118 | 6/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 4/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL20006124 | 1.00 | RAB9A (0.43) | RAB9ANPC1SMN1; SMN2HTTALDH1A1 | |
| SCHEMBL19996150 | 0.81 | PDE4B (0.42) | RAB9ANPC1SMN1; SMN2HTTALDH1A1 | |
| SCHEMBL19995887 | 0.81 | PDE4B (0.42) | RAB9ANPC1SMN1; SMN2HTTALDH1A1 | |
| SCHEMBL19995563 | 0.78 | RAB9A (0.59) | RAB9ANPC1SMN1; SMN2HTTALDH1A1 | |
| SCHEMBL19995584 | 0.78 | RAB9A (0.59) | RAB9ANPC1SMN1; SMN2HTTALDH1A1 | |
| SCHEMBL19995974 | 0.72 | RAB9A (0.63) | RAB9ANPC1SMN1; SMN2HTTALDH1A1 | |
| SCHEMBL19995523 | 0.72 | RAB9A (0.63) | RAB9ANPC1SMN1; SMN2HTTALDH1A1 | |
| SCHEMBL28298518 | 0.68 | QDPR (0.33) | — | |
| SCHEMBL20005713 | 0.67 | PDE4B (0.40) | RAB9ANPC1SMN1; SMN2HTTALDH1A1 | |
| SCHEMBL19995527 | 0.67 | PDE4B (0.40) | RAB9ANPC1SMN1; SMN2HTTALDH1A1 |
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 |