Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.51 |
| ▸ | CHRNG | P07510 | 1/20 | 0.51 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.51 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.51 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.51 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.51 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.51 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.51 |
| ▸ | CHRND | Q07001 | 1/20 | 0.51 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | POLB | P06746 | 3/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.50 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.50 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.50 |
| ▸ | PARP1 | P09874 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL12071036 | 0.90 | MAPT (0.54) | SMN1; SMN2GPR139MAPTPOLBPTGS1 | |
| SCHEMBL10894082 | 0.83 | TDP1 (0.61) | SMN1; SMN2MAPTPTGS1CXCR1CXCR2 | |
| SCHEMBL702447 | 0.83 | TDP1 (0.61) | SMN1; SMN2MAPTPTGS1CXCR1CXCR2 | |
| SCHEMBL9696127 | 0.83 | CA12 (0.53) | SMN1; SMN2MAPTPTGS1CXCR1CXCR2 | |
| SCHEMBL11587933 | 0.83 | CES2 (0.67) | SMN1; SMN2CHRNA1CHRNGCHRNB1CHRNB2 | |
| SCHEMBL29589199 | 0.82 | SMN1; SMN2 (0.56) | SMN1; SMN2CHRNA1CHRNGCHRNB1CHRNB2 | |
| SCHEMBL2926204 | 0.80 | CES2 (0.53) | SMN1; SMN2MAPTPOLBPTGS2KDM4E | |
| SCHEMBL16162334 | 0.80 | CES2 (0.53) | SMN1; SMN2MAPTKDM4EALDH1A1LMNA | |
| SCHEMBL585998 | 0.80 | PARP1 (0.59) | SMN1; SMN2CHRNA1CHRNGCHRNB1CHRNB2 | |
| SCHEMBL29923066 | 0.80 | PARP1 (0.59) | SMN1; SMN2CHRNA1CHRNGCHRNB1CHRNB2 |
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-1902037-B1 | 2,4-DIAMINO-PYRIMIDINES USED AS AURORA INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2009-09-02 | — | — | EP | disclosed |