Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 5/20 | 0.33 |
| ▸ | CDK4 | P11802 | 3/20 | 0.33 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.32 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.32 |
| ▸ | CCND1 | P24385 | 1/20 | 0.32 |
| ▸ | CDK7 | P50613 | 1/20 | 0.32 |
| ▸ | CCNH | P51946 | 1/20 | 0.32 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.32 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL11753842 | 0.80 | CYP2A6 (0.41) | CYP2A6CDK2CDK4PDE3BPDE3A | |
| SCHEMBL10479794 | 0.77 | CYP2A6 (0.38) | CYP2A6LMNACDK2CDK4PDE3B | |
| SCHEMBL20860726 | 0.73 | CYP2A6 (0.47) | CYP2A6LMNAPDE3BPDE3ACHRM4 | |
| SCHEMBL369547 | 0.73 | CYP2A6 (0.33) | CYP2A6LMNAMEN1KMT2AMAPT | |
| SCHEMBL25143012 | 0.72 | NPC1 (0.43) | CYP2A6LMNANPC1RAB9AMEN1 | |
| SCHEMBL369929 | 0.72 | DAO (0.39) | NPC1RAB9AMEN1KMT2AKDM4E | |
| SCHEMBL17053160 | 0.72 | KMT2A (0.47) | LMNAPDE3BPDE3AMEN1KMT2A | |
| SCHEMBL17053161 | 0.70 | CYP2A6 (0.33) | CYP2A6PDE3BPDE3A | |
| SCHEMBL10479999 | 0.70 | MAPT (0.40) | CYP2A6CDK2CDK4NPC1RAB9A | |
| SCHEMBL13718826 | 0.69 | LMNA (0.31) | CYP2A6LMNAMAPTROCK1UHRF1 |
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-2593457-A1 | PYRAZOLO [1, 5A]PYRIMIDINE AND THIENO [3, 2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS | F.HOFFMANN-LA ROCHE AG (CH) | 2013-05-22 | — | — | EP | disclosed |
| WO-2012007375-A1 | PYRAZOLO [1, 5A] PYRIMIDINE AND THIENO [3, 2B] PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-01-19 | — | — | WO | disclosed |