Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | HPGD | P15428 | 3/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | MPO | P05164 | 2/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.49 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.49 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.49 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | RNASEH1 | O60930 | 1/20 | 0.45 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.45 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.45 |
| ▸ | FEN1 | P39748 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | ERCC4 | Q92889 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11922973 | 0.84 | CYP1A2 (0.69) | CYP1A2ALDH1A1HPGDKDM4ESMN1; SMN2 | |
| SCHEMBL5514563 | 0.80 | CYP1A2 (0.63) | CYP1A2ALDH1A1HPGDKDM4ESMN1; SMN2 | |
| SCHEMBL7015737 | 0.79 | FEN1 (0.50) | CYP1A2ALDH1A1KDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL7014576 | 0.79 | ADORA3 (0.41) | CYP1A2ALDH1A1HPGDKDM4ESMN1; SMN2 | |
| SCHEMBL7022190 | 0.79 | ADORA3 (0.41) | CYP1A2ALDH1A1HPGDKDM4ESMN1; SMN2 | |
| SCHEMBL7015733 | 0.79 | FEN1 (0.50) | CYP1A2ALDH1A1KDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL6242682 | 0.78 | CYP1A2 (0.64) | CYP1A2ALDH1A1HPGDKDM4ESMN1; SMN2 | |
| SCHEMBL7014473 | 0.77 | TSHR (0.33) | CYP1A2ALDH1A1TSHRKMT2AMEN1 | |
| SCHEMBL7014468 | 0.77 | TSHR (0.33) | CYP1A2ALDH1A1TSHRKMT2AMEN1 | |
| SCHEMBL1662185 | 0.76 | ALDH1A1 (0.68) | CYP1A2ALDH1A1HPGDKDM4ESMN1; SMN2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2003089416-A1 | SUBSTITUTED PYRIMIDINE-2,4(1H,3H)-DIONES FOR USE AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS | IBFB GMBH (DE) | 2003-10-30 | — | — | WO | claimed |
| EP-1357114-A1 | Substituted pyrimidin-2,4(1H,3H)-diones as inhibitors of Matrix Metalloproteinases (MMP) | IBFB GmbH Privates Institut für biomedizinische Forschung und Beratung (DE) | 2003-10-29 | — | — | EP | claimed |
| WO-2003089416-A1 | SUBSTITUTED PYRIMIDINE-2,4(1H,3H)-DIONES FOR USE AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS | IBFB GMBH (DE) | 2003-10-30 | — | — | WO | disclosed |
| EP-1357114-A1 | Substituted pyrimidin-2,4(1H,3H)-diones as inhibitors of Matrix Metalloproteinases (MMP) | IBFB GmbH Privates Institut für biomedizinische Forschung und Beratung (DE) | 2003-10-29 | — | — | EP | disclosed |