Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 8/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.40 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.40 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.39 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.35 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28224256 | 0.87 | PDK1 (0.40) | PDK1CHRNB2CHRNA3CHRNA4CHRNB3 | |
| SCHEMBL20671837 | 0.86 | PDK1 (0.43) | PDK1CHRNB2CHRNA3CHRNA4CHRNB3 | |
| SCHEMBL22167698 | 0.86 | PDK1 (0.43) | PDK1CHRNB2CHRNA3CHRNA4CHRNB3 | |
| SCHEMBL3403351 | 0.85 | PDK1 (0.44) | PDK1POLBMEN1MAPTKMT2A | |
| SCHEMBL16887633 | 0.85 | PDK1 (0.56) | PDK1CHRNB2CHRNA3CHRNA4CHRNB3 | |
| SCHEMBL22732717 | 0.83 | PDK1 (0.47) | PDK1CHRNB2CHRNA3CHRNA4CHRNB3 | |
| SCHEMBL12070759 | 0.83 | PDK1 (0.47) | PDK1CHRNB2CHRNA3CHRNA4CHRNB3 | |
| SCHEMBL22732715 | 0.83 | PDK1 (0.47) | PDK1CHRNB2CHRNA3CHRNA4CHRNB3 | |
| SCHEMBL22732590 | 0.83 | PDK1 (0.46) | PDK1POLBKMT2ACHEK1CHEK2 | |
| SCHEMBL14949545 | 0.83 | PDK1 (0.46) | PDK1POLBKMT2ACHEK1CHEK2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8445501-B2 | Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines | TAKEDA GMBH (DE) | 2013-05-21 | — | — | US | claimed |
| US-8445501-B2 | Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines | TAKEDA GMBH (DE) | 2013-05-21 | — | — | US | disclosed |
| EP-2247594-A1 | PYRROLOPYRIMIDINECARBOXAMIDES | Nycomed GmbH (DE) | 2010-11-10 | — | — | EP | disclosed |
| WO-2009106531-A1 | PYRROLOPYRIMIDINECARBOXAMIDES | NYCOMED GMBH (DE) | 2009-09-03 | — | — | WO | disclosed |