Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 2/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15567700 | 0.83 | MAOB (0.37) | ALDH1A1HTTCYP11B2CYP11B1KMT2A | |
| SCHEMBL28373650 | 0.77 | CA12 (0.53) | GRM5CYP2A6ALDH1A1FFAR1CA12 | |
| SCHEMBL15569114 | 0.77 | HTT (0.40) | ALDH1A1HTTCYP11B2CYP11B1KMT2A | |
| SCHEMBL4766762 | 0.76 | APP (0.45) | ALDH1A1HTTCYP11B2CYP11B1KMT2A | |
| SCHEMBL15775331 | 0.76 | HTT (0.46) | GRM5CYP2A6ALDH1A1HTTCYP11B2 | |
| SCHEMBL20043 | 0.75 | HTT (0.50) | ALDH1A1HTTCYP11B2KMT2AMEN1 | |
| SCHEMBL29546988 | 0.75 | HTT (0.50) | ALDH1A1HTTCYP11B2KMT2AMEN1 | |
| SCHEMBL7676386 | 0.74 | LRRK2 (0.51) | HTTCYP11B2CYP11B1LRRK2CYP2C19 | |
| SCHEMBL17378288 | 0.73 | GRM5 (0.61) | GRM5CYP2A6ALDH1A1FFAR1CA12 | |
| SCHEMBL3990856 | 0.72 | LRRK2 (0.54) | CYP2A6CYP11B2CYP11B1LRRK2CYP1A2 |
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-2014087165-A1 | TANKYRASE INHIBITORS | UNIVERSITY OF BATH (GB) | 2014-06-12 | — | — | WO | disclosed |