Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FDPS | P14324 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | DPP8 | Q6V1X1 | 4/20 | 0.37 |
| ▸ | DPP7 | Q9UHL4 | 3/20 | 0.37 |
| ▸ | DPP4 | P27487 | 2/20 | 0.37 |
| ▸ | ACHE | P22303 | 2/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.32 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL14737750 | 1.00 | FDPS (0.44) | FDPSTSHRDPP8DPP7DPP4 | |
| SCHEMBL14478268 | 0.83 | — | — | |
| SCHEMBL669126 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL5473559 | 0.82 | FDPS (0.47) | FDPSTSHRNLRP3HDAC1HDAC6 | |
| Trifluoroacetic Acid SCHEMBL29488711 | 0.76 | HTT (0.39) | FDPSTSHRHDAC1HDAC6HTT | |
| SCHEMBL4153679 | 0.74 | FDPS (0.51) | FDPSTSHRNLRP3HDAC1HDAC6 | |
| SCHEMBL503649 | 0.74 | FDPS (0.51) | FDPSTSHRNLRP3HDAC1HDAC6 | |
| SCHEMBL9462503 | 0.74 | FDPS (0.51) | FDPSTSHRNLRP3HDAC1HDAC6 | |
| SCHEMBL846777 | 0.74 | FDPS (0.51) | FDPSTSHRNLRP3HDAC1HDAC6 | |
| SCHEMBL4791740 | 0.74 | FDPS (0.51) | FDPSTSHRNLRP3HDAC1HDAC6 |
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-2763990-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2014-08-13 | — | — | EP | disclosed |
| WO-2013030138-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-03-07 | — | — | WO | disclosed |