Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNC | P24863 | 8/20 | 0.72 |
| ▸ | CDK8 | P49336 | 8/20 | 0.72 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.64 |
| ▸ | AURKA | O14965 | 2/20 | 0.50 |
| ▸ | TTK | P33981 | 2/20 | 0.50 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.50 |
| ▸ | INCENP | Q9NQS7 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL4083828 | 0.84 | CCNC (1.00) | CCNCCDK8NOTUMAURKATTK | |
| SCHEMBL1127328 | 0.82 | NOTUM (0.70) | CCNCCDK8NOTUMAURKATTK | |
| SCHEMBL16115107 | 0.80 | NOTUM (0.53) | CCNCCDK8NOTUMMAPTKDM4E | |
| SCHEMBL16116044 | 0.80 | CCNC (0.68) | CCNCCDK8AURKATTKAURKB | |
| SCHEMBL16116075 | 0.78 | CCNC (0.76) | CCNCCDK8NOTUMPIK3CBGPR142 | |
| SCHEMBL13987890 | 0.78 | CCNC (0.76) | CCNCCDK8NOTUMCDC7 | |
| SCHEMBL16116187 | 0.78 | CCNC (0.55) | CCNCCDK8NOTUMCDC7 | |
| SCHEMBL1928413 | 0.78 | NOTUM (1.00) | CCNCCDK8NOTUMAURKAALDH1A1 | |
| SCHEMBL20792823 | 0.78 | NOTUM (0.54) | CCNCCDK8NOTUMAURKATTK | |
| SCHEMBL11163292 | 0.77 | TTK (0.58) | CCNCCDK8AURKATTKAURKB |
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 |
|---|---|---|---|---|---|---|---|
| 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 |