Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 2/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | 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 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.33 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 6/20 | 0.33 |
| ▸ | PARP1 | P09874 | 2/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.32 |
| ▸ | MELK | Q14680 | 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 | |
|---|---|---|---|---|
| SCHEMBL12473710 | 0.85 | HTR1A (0.38) | HTR1ATAAR1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL7959118 | 0.83 | HTR1A (0.37) | HTR1ATAAR1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL9284095 | 0.78 | AURKA (0.34) | TAAR1AURKAAURKBINCENPCHEK1 | |
| SCHEMBL9394087 | 0.74 | — | — | |
| SCHEMBL31038860 | 0.73 | AURKA (0.34) | TAAR1AURKAAURKBINCENPCHEK1 | |
| SCHEMBL12797846 | 0.73 | GABRA1 (0.36) | HTR1ATAAR1MAPT | |
| SCHEMBL10110583 | 0.72 | GRIN2D (0.37) | HTR1ATAAR1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL29851040 | 0.72 | RAB9A (0.38) | PARP1MAPTGPR84 | |
| SCHEMBL9094208 | 0.71 | GABRA1 (0.48) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL10110509 | 0.71 | NOS3 (0.35) | TAAR1GRIN2DGRIN3BGRIN1GRIN2A |
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-2566479-A1 | AZAINDAZOLES | GlaxoSmithKline LLC (US) | 2013-03-13 | — | — | EP | disclosed |
| WO-2012005805-A1 | AZAINDAZOLES | GLAXOSMITHKLINE LLC (US) | 2012-01-12 | — | — | WO | disclosed |