Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.49 |
| ▸ | LDHB | P07195 | 2/20 | 0.47 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.47 |
| ▸ | CCND1 | P24385 | 1/20 | 0.47 |
| ▸ | CCNC | P24863 | 1/20 | 0.47 |
| ▸ | CDK8 | P49336 | 1/20 | 0.47 |
| ▸ | CDK7 | P50613 | 1/20 | 0.47 |
| ▸ | CDK9 | P50750 | 1/20 | 0.47 |
| ▸ | CCNH | P51946 | 1/20 | 0.47 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.47 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.47 |
| ▸ | ATR | Q13535 | 3/20 | 0.46 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.46 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.45 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.45 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.45 |
| ▸ | KDM1A | O60341 | 1/20 | 0.45 |
| ▸ | FYN | P06241 | 2/20 | 0.44 |
| ▸ | LDHA | P00338 | 1/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL12269989 | 0.83 | PARP1 (0.53) | PARP1CCNT1CCND1CCNCCDK8 | |
| SCHEMBL27615894 | 0.80 | LDHA (0.46) | LDHBCHEK1FYNLDHAPIM1 | |
| SCHEMBL30620568 | 0.78 | MAPK8 (0.48) | LDHBCCNT1CCND1CCNCCDK8 | |
| SCHEMBL3346188 | 0.78 | SIRT3 (0.45) | PARP1LDHBCCNCCDK8CHEK1 | |
| SCHEMBL30186359 | 0.78 | CHEK1 (0.57) | CHEK1FYNPIK3CACYP11B2 | |
| SCHEMBL20047742 | 0.77 | IDO1 (0.50) | ATRKDM1ACYP11B2 | |
| SCHEMBL1679707 | 0.76 | FYN (0.63) | PARP1ATRCHEK1MKNK1MKNK2 | |
| SCHEMBL15888400 | 0.74 | IDO1 (0.47) | CYP11B2 | |
| SCHEMBL5557468 | 0.74 | BRAF (0.40) | LDHBCHEK1FYNLDHAPIM1 | |
| SCHEMBL16420520 | 0.74 | ATR (0.68) | LDHBATRCHEK1MKNK1MKNK2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008074997-A1 | PYRIDINE BENZAMIDES AND PYRAZINE BENZAMIDES USED AS PKD INHIBITORS | CANCER RESEARCH TECHNOLOGY LIMITED (GB) | 2008-06-26 | — | — | WO | disclosed |