Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNC | P24863 | 7/20 | 1.00 |
| ▸ | CDK8 | P49336 | 7/20 | 1.00 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.56 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.56 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.56 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.56 |
| ▸ | CDC7 | O00311 | 8/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | PDE5A | O76074 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.49 |
| ▸ | PDE4A | P27815 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | BLM | P54132 | 1/20 | 0.49 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.49 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.49 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.49 |
| ▸ | BTK | Q06187 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL16115893 | 0.85 | CCNC (0.74) | CCNCCDK8PDE3BPDE3AAURKB | |
| SCHEMBL16115636 | 0.81 | CCNC (1.00) | CCNCCDK8CDC7 | |
| SCHEMBL16115746 | 0.80 | CCNC (0.67) | CCNCCDK8PDE3BPDE3ACDC7 | |
| SCHEMBL10704473 | 0.80 | CCNC (0.67) | CCNCCDK8PDE3BPDE3AAURKB | |
| SCHEMBL16116368 | 0.79 | CCNC (0.65) | CCNCCDK8PDE3BPDE3AAURKB | |
| Trifluoroacetic Acid SCHEMBL30882416 | 0.76 | CCNC (0.61) | CCNCCDK8PDE3BPDE3AKDM4E | |
| SCHEMBL11234900 | 0.75 | PDE3B (0.61) | CCNCCDK8PDE3BPDE3AAURKB | |
| SCHEMBL11291892 | 0.72 | PDE3B (0.67) | CCNCCDK8PDE3BPDE3AAURKB | |
| SCHEMBL11235286 | 0.72 | PDE3B (1.00) | CCNCCDK8PDE3BPDE3AAURKB | |
| SCHEMBL11076607 | 0.71 | PDE3B (0.71) | CCNCCDK8PDE3BPDE3AAURKB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014154723-A1 | NOVEL PYRROLE DERIVATIVES FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2014-10-02 | — | — | WO | claimed |
| WO-2014154723-A1 | NOVEL PYRROLE DERIVATIVES FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2014-10-02 | — | — | WO | disclosed |
| WO-2014154723-A1 | NOVEL PYRROLE DERIVATIVES FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2014-10-02 | — | — | WO | disclosed |