Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 1/20 | 0.49 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.49 |
| ▸ | SRC | P12931 | 1/20 | 0.49 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.49 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | SUV39H2 | Q9H5I1 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12471911 | 0.88 | CA1 (0.46) | ABL1PDGFRBSRCPDGFRAMAPK14 | |
| SCHEMBL12472110 | 0.85 | CA1 (0.48) | ABL1PDGFRBSRCPDGFRAMAPK14 | |
| SCHEMBL12472106 | 0.81 | CA1 (0.48) | ABL1PDGFRBSRCPDGFRAMAPK14 | |
| SCHEMBL12472971 | 0.81 | MEN1 (0.52) | ABL1PDGFRBSRCPDGFRAMAPK14 | |
| SCHEMBL4756759 | 0.81 | MEN1 (0.55) | ABL1PDGFRBSRCPDGFRAMAPK14 | |
| SCHEMBL4625768 | 0.81 | MAPT (0.57) | ABL1PDGFRBSRCPDGFRAMAPK14 | |
| SCHEMBL6274441 | 0.80 | CA1 (0.58) | CA1CA2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL12472332 | 0.79 | KDM4E (0.47) | ABL1PDGFRBSRCPDGFRAMAPK14 | |
| SCHEMBL11901432 | 0.77 | CXCL8 (0.42) | SUV39H2KMT2AADORA3MAPK1LMNA | |
| SCHEMBL12472466 | 0.77 | KDM4E (0.47) | ABL1PDGFRBSRCPDGFRAMAPK14 |
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-2673269-A1 | HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2013-12-18 | — | — | EP | disclosed |
| WO-2012107465-A1 | HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-08-16 | — | — | WO | disclosed |