Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.31 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL14655445 | 0.95 | ALDH1A1 (0.40) | ALDH1A1KMT2AF2PARP1PARP15 | |
| SCHEMBL5446634 | 0.93 | ALDH1A1 (0.44) | ALDH1A1L3MBTL1F2 | |
| SCHEMBL5971035 | 0.79 | KDM4E (0.47) | ALDH1A1MEN1KMT2ATP53LMNA | |
| SCHEMBL14655947 | 0.72 | KCNH2 (0.34) | ALDH1A1 | |
| SCHEMBL19502758 | 0.72 | L3MBTL3 (0.49) | ALDH1A1L3MBTL1PARP1 | |
| SCHEMBL17672298 | 0.71 | ALDH1A1 (0.43) | ALDH1A1MEN1KMT2AMAPTF2 | |
| SCHEMBL14655504 | 0.70 | DPP4 (0.41) | — | |
| SCHEMBL14655514 | 0.70 | DPP4 (0.44) | — | |
| SCHEMBL14655486 | 0.70 | DPP4 (0.44) | — | |
| SCHEMBL14738278 | 0.70 | DPP4 (0.37) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8518945-B2 | Pyrrolopyrazine kinase inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2013-08-27 | — | — | US | claimed |
| US-8518945-B2 | Pyrrolopyrazine kinase inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2013-08-27 | — | — | US | disclosed |
| EP-2550273-A2 | PYRROLOPYRAZINE KINASE INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2013-01-30 | — | — | EP | disclosed |