Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2820813 | 0.82 | CXCL8 (0.40) | PARP1SMN1; SMN2KDM4EPDPK1CA12 | |
| SCHEMBL2817256 | 0.79 | PARP1 (0.54) | PARP1LMNATSHRSMN1; SMN2PAX8 | |
| SCHEMBL7036443 | 0.78 | PARP1 (0.34) | PARP1POLBTSHRSMN1; SMN2PDPK1 | |
| SCHEMBL2497541 | 0.75 | CXCL8 (0.39) | PARP1POLBMAPK1LMNASMN1; SMN2 | |
| SCHEMBL2495510 | 0.74 | PARP1 (0.34) | PARP1SMN1; SMN2KDM4EALDH1A1PDPK1 | |
| SCHEMBL22559041 | 0.72 | CYP1A2 (0.39) | PARP1LMNATSHRSMN1; SMN2ALDH1A1 | |
| SCHEMBL7727344 | 0.72 | TAAR1 (0.40) | PARP1LMNATSHRSMN1; SMN2PDPK1 | |
| SCHEMBL663849 | 0.69 | PARP1 (0.56) | PARP1MAPK1TSHRSMN1; SMN2KDM4E | |
| SCHEMBL27564529 | 0.69 | MEN1 (0.40) | PARP1SMN1; SMN2KDM4EALDH1A1PDPK1 | |
| Hydrochloric Acid SCHEMBL7358641 | 0.68 | PARP1 (0.54) | PARP1MAPK1TSHRSMN1; SMN2KDM4E |
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-2010110686-A1 | PYRIMIDINYL AND 1,3,5 TRIAZINYL BENZIMIDAZOLES AND THEIR USE IN CANCER THERAPY | PATHWAY THERAPEUTICS LIMITED (NZ) | 2010-09-30 | — | — | WO | disclosed |