Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 8/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
| ▸ | HTR3A | P46098 | 1/20 | 0.34 |
| ▸ | DHODH | Q02127 | 1/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3397253 | 0.85 | PARP1 (0.45) | PARP1 | |
| SCHEMBL204172 | 0.82 | PARP1 (0.41) | PARP1ESR1MAPTMAPK10KMT2A | |
| SCHEMBL204570 | 0.78 | PARP1 (0.38) | PARP1ESR1MAPTMAPK10KMT2A | |
| SCHEMBL204810 | 0.74 | PARP1 (0.37) | PARP1ALDH1A1DHODH | |
| SCHEMBL205393 | 0.74 | HCRTR1 (0.41) | ESR1MAPTMAPK10KMT2AHCRTR1 | |
| SCHEMBL206585 | 0.74 | DHODH (0.38) | PARP1ESR1MAPTMAPK10KMT2A | |
| SCHEMBL206724 | 0.73 | PARP1 (0.36) | PARP1ESR1ALDH1A1DHODH | |
| SCHEMBL204539 | 0.72 | ESR1 (0.37) | PARP1ESR1ALDH1A1DHODH | |
| SCHEMBL3400558 | 0.71 | DRD4 (0.47) | PARP1ALDH1A1OPRK1TSHR | |
| SCHEMBL205900 | 0.70 | PARP1 (0.55) | PARP1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2247600-A2 | BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) | Lead Therapeutics, Inc. (US) | 2010-11-10 | — | — | EP | disclosed |
| WO-2009099736-A2 | BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) | LEAD THERAPEUTICS, INC. (US) | 2009-08-13 | — | — | WO | disclosed |