Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | NOS1 | P29475 | 10/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.34 |
| ▸ | NOS2 | P35228 | 6/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.34 |
| ▸ | NOS3 | P29474 | 4/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.33 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL8439706 | 0.83 | TRPA1 (0.42) | NOS1NOS2CHRNA7NOS3 | |
| SCHEMBL12094155 | 0.80 | TDP1 (0.46) | TDP1NOS1NOS2NOS3GRIN2D | |
| SCHEMBL11973935 | 0.80 | GRIN2D (0.50) | NOS1TAAR1NOS2GRIN2DGRIN3B | |
| SCHEMBL12641204 | 0.80 | NOS1 (0.61) | NOS1TAAR1NOS2CHRNA7NOS3 | |
| SCHEMBL27974555 | 0.79 | CYP3A4 (0.46) | TDP1NOS1TAAR1NOS2CHRNA7 | |
| SCHEMBL4427688 | 0.78 | TDP1 (0.65) | TDP1NOS1TAAR1NOS2NOS3 | |
| SCHEMBL13283718 | 0.77 | CYP4A11 (0.46) | NOS1NOS2NOS3 | |
| SCHEMBL28780514 | 0.76 | MIF (0.50) | TDP1NOS1CHRNA7MEN1KMT2A | |
| SCHEMBL13951993 | 0.75 | DRD2 (0.59) | SIGMAR1 | |
| SCHEMBL14028969 | 0.75 | NOS1 (0.36) | NOS1NOS2CHRNA7NOS3 |
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-9550772-B2 | Azaindole derivatives as multi kinase inhibitors | ORIBASE PHARMA (FR) | 2017-01-24 | — | — | US | disclosed |