Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 6/20 | 0.48 |
| ▸ | NOS3 | P29474 | 5/20 | 0.48 |
| ▸ | CCR1 | P32246 | 3/20 | 0.44 |
| ▸ | CCR5 | P51681 | 3/20 | 0.44 |
| ▸ | CCR8 | P51685 | 3/20 | 0.44 |
| ▸ | NOS1 | P29475 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.35 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.34 |
| ▸ | COPS5 | Q92905 | 1/20 | 0.34 |
| ▸ | ABL1 | P00519 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.33 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30905975 | 0.82 | — | — | |
| SCHEMBL7849737 | 0.82 | — | — | |
| SCHEMBL6938070 | 0.81 | — | — | |
| SCHEMBL31527977 | 0.81 | — | — | |
| SCHEMBL8062044 | 0.81 | — | — | |
| SCHEMBL23181530 | 0.77 | — | — | |
| SCHEMBL20366876 | 0.77 | — | — | |
| SCHEMBL22969065 | 0.77 | — | — | |
| SCHEMBL17563261 | 0.77 | — | — | |
| SCHEMBL25197333 | 0.77 | NOS2 (0.47) | NOS2NOS3CCR1CCR5CCR8 |
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-20140221664-A1 | COUPLED HETEROARYL COMPOUNDS VIA REARRANGEMENT OF HALOGENATED HETEROAROMATICS FOLLOWED BY OXIDATIVE COUPLING (ELECTRON WITHDRAWING GROUPS) | GEORGIA TECH RESEARCH CORPORATION (US) | 2014-08-07 | — | — | US | disclosed |