Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | CHKA | P35790 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11939022 | 0.85 | ALDH1A1 (0.61) | ALDH1A1SIGMAR1HTTNPC1TP53 | |
| SCHEMBL20680172 | 0.85 | CHKA (0.57) | ALDH1A1HTTCHKAKDM4E | |
| SCHEMBL19211682 | 0.82 | ALDH1A1 (0.65) | ALDH1A1HTTCHKAKDM4E | |
| SCHEMBL31082092 | 0.82 | ALDH1A1 (0.60) | ALDH1A1HTTRAB9ACHKAKDM4E | |
| SCHEMBL19211728 | 0.80 | ALDH1A1 (0.48) | ALDH1A1HTTCHKAKDM4E | |
| SCHEMBL19211653 | 0.79 | ALDH1A1 (0.45) | ALDH1A1HTTCHKAKMT2APKM | |
| SCHEMBL31082081 | 0.78 | HRH3 (0.51) | ALDH1A1HTTNPC1TP53RAB9A | |
| SCHEMBL11939427 | 0.77 | MAPK1 (0.58) | ALDH1A1SIGMAR1NPC1TP53RAB9A | |
| SCHEMBL6555943 | 0.74 | LIPG (0.56) | ALDH1A1TP53KDM4E | |
| SCHEMBL16256925 | 0.74 | SIGMAR1 (0.45) | ALDH1A1SIGMAR1NPC1TP53RAB9A |
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-3414228-A1 | CHEMICAL COMPOUNDS AS INHIBITORS OF KINASE ACTIVITY | GlaxoSmithKline Intellectual Property Development Limited (GB) | 2018-12-19 | — | — | EP | disclosed |
| WO-2017137535-A1 | CHEMICAL COMPOUNDS AS INHIBITORS OF KINASE ACTIVITY | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2017-08-17 | — | — | WO | disclosed |