Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | DUSP1 | P28562 | 1/20 | 0.42 |
| ▸ | DUSP6 | Q16828 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 5/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18994256 | 0.88 | CYP1A2 (0.42) | CYP1A2CYP3A4CYP2C9CYP2C19DUSP1 | |
| SCHEMBL18994264 | 0.86 | DUSP1 (0.54) | CYP1A2CYP3A4CYP2C9CYP2C19DUSP1 | |
| SCHEMBL3701763 | 0.86 | DUSP1 (0.54) | CYP1A2CYP3A4CYP2C9CYP2C19DUSP1 | |
| SCHEMBL3701762 | 0.86 | DUSP1 (0.54) | CYP1A2CYP3A4CYP2C9CYP2C19DUSP1 | |
| SCHEMBL6989321 | 0.86 | DUSP1 (0.54) | CYP1A2CYP3A4CYP2C9CYP2C19DUSP1 | |
| SCHEMBL18994272 | 0.85 | DUSP1 (0.52) | CYP1A2CYP3A4CYP2C9CYP2C19DUSP1 | |
| SCHEMBL18994285 | 0.79 | BCHE (0.42) | CYP1A2CYP3A4CYP2C9CYP2C19DUSP1 | |
| SCHEMBL6989355 | 0.75 | CYP1A2 (0.77) | CYP1A2CYP3A4CYP2C9CYP2C19DUSP1 | |
| SCHEMBL18994294 | 0.70 | BCHE (0.40) | CYP1A2CYP3A4CYP2C9CYP2C19DUSP1 | |
| SCHEMBL29017937 | 0.69 | DUSP1 (0.55) | CYP1A2CYP3A4CYP2C9CYP2C19DUSP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9682919-B2 | Small molecule inhibitors of Dusp6 and uses therefor | University of Pittsburgh—of the Commonwealth System of Higher Education (US) | 2017-06-20 | — | — | US | disclosed |