Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 4/20 | 0.56 |
| ▸ | NOS2 | P35228 | 4/20 | 0.56 |
| ▸ | NOS1 | P29475 | 3/20 | 0.56 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.40 |
| ▸ | CCR1 | P32246 | 2/20 | 0.35 |
| ▸ | CCR5 | P51681 | 2/20 | 0.35 |
| ▸ | CCR8 | P51685 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | IKBKB | O14920 | 1/20 | 0.31 |
| ▸ | XDH | P47989 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13515059 | 0.77 | IDO1 (0.39) | NOS3NOS2NOS1CYP1A2KMT2A | |
| SCHEMBL14100526 | 0.74 | KDM4E (0.36) | NOS3NOS2NOS1CCR1CCR5 | |
| SCHEMBL14100837 | 0.74 | CCR1 (0.35) | NOS3NOS2NOS1CCR1CCR5 | |
| SCHEMBL172774 | 0.72 | — | — | |
| SCHEMBL31619921 | 0.72 | — | — | |
| SCHEMBL91450 | 0.72 | — | — | |
| SCHEMBL24139999 | 0.71 | NOS3 (0.33) | NOS3NOS2NOS1CCR1CCR5 | |
| SCHEMBL118541 | 0.68 | — | — | |
| SCHEMBL29690486 | 0.68 | — | — | |
| SCHEMBL91444 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1337251-B1 | MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS | BRISTOL MYERS SQUIBB PHARMA CO (US) | 2008-08-20 | — | — | EP | disclosed |