Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | CTSS | P25774 | 13/20 | 0.48 |
| ▸ | CTSK | P43235 | 11/20 | 0.48 |
| ▸ | CTSL | P07711 | 2/20 | 0.46 |
| ▸ | CTSB | P07858 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8195575 | 1.00 | MEN1 (0.50) | MEN1GAAKMT2ACTSSCTSK | |
| SCHEMBL86713 | 0.84 | CTSS (0.51) | MEN1GAAKMT2ACTSSCTSK | |
| SCHEMBL16285819 | 0.82 | CTSS (0.50) | MEN1GAAKMT2ACTSSCTSK | |
| SCHEMBL14744120 | 0.81 | MEN1 (0.53) | MEN1GAAKMT2ACTSSCTSK | |
| SCHEMBL23288374 | 0.81 | MEN1 (0.53) | MEN1GAAKMT2ACTSSCTSK | |
| SCHEMBL15723437 | 0.80 | MEN1 (0.56) | MEN1GAAKMT2ACTSSCTSK | |
| SCHEMBL20073977 | 0.80 | MEN1 (0.56) | MEN1GAAKMT2ACTSSCTSK | |
| SCHEMBL20001957 | 0.80 | MEN1 (0.56) | MEN1GAAKMT2ACTSSCTSK | |
| SCHEMBL29974865 | 0.80 | MEN1 (0.56) | MEN1GAAKMT2ACTSSCTSK | |
| SCHEMBL16279117 | 0.80 | MEN1 (0.49) | MEN1GAAKMT2ACTSSCTSK |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018056854-A1 | BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-B-HYDROXYLASE INHIBITORS | BIAL - PORTELA & Cª, S.A. (PT) | 2018-03-29 | — | — | WO | disclosed |