Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNC | P24863 | 8/20 | 0.71 |
| ▸ | CDK8 | P49336 | 8/20 | 0.71 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.58 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.58 |
| ▸ | BTK | Q06187 | 1/20 | 0.48 |
| ▸ | CDC7 | O00311 | 2/20 | 0.46 |
| ▸ | GABRP | O00591 | 2/20 | 0.45 |
| ▸ | GABRD | O14764 | 2/20 | 0.45 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.45 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.45 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.45 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.45 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.45 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.45 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.45 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.45 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.45 |
| ▸ | GABRE | P78334 | 2/20 | 0.45 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.45 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL16116187 | 0.88 | CCNC (0.55) | CCNCCDK8MKNK1MKNK2BTK | |
| SCHEMBL16115264 | 0.84 | CCNC (0.71) | CCNCCDK8MKNK1MKNK2CDC7 | |
| SCHEMBL16115032 | 0.83 | CCNC (1.00) | CCNCCDK8MKNK1MKNK2CDC7 | |
| SCHEMBL16115998 | 0.83 | CCNC (1.00) | CCNCCDK8MKNK1MKNK2CDC7 | |
| SCHEMBL4083828 | 0.80 | CCNC (1.00) | CCNCCDK8CDC7 | |
| SCHEMBL14650210 | 0.74 | MKNK1 (0.71) | CCNCCDK8MKNK1MKNK2BTK | |
| SCHEMBL4402187 | 0.73 | DYRK1A (0.63) | MKNK1MKNK2GABRPGABRDGABRA1 | |
| SCHEMBL30935767 | 0.73 | DYRK1A (0.63) | MKNK1MKNK2GABRPGABRDGABRA1 | |
| SCHEMBL30471697 | 0.73 | CCNC (0.69) | CCNCCDK8MKNK1MKNK2 | |
| Hydrochloric Acid SCHEMBL10461111 | 0.71 | DYRK1A (0.61) | MKNK1MKNK2GABRPGABRDGABRA1 |
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 |