Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TOP2A | P11388 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 9/20 | 0.40 |
| ▸ | HTR3A | P46098 | 4/20 | 0.39 |
| ▸ | CEPT1 | Q9Y6K0 | 1/20 | 0.39 |
| ▸ | ADA | P00813 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL205302 | 0.83 | PARP1 (0.58) | TOP2AKDM4ENPC1ALDH1A1HPGD | |
| SCHEMBL205875 | 0.83 | PARP1 (0.58) | TOP2AKDM4ENPC1ALDH1A1HPGD | |
| SCHEMBL204524 | 0.82 | PARP1 (0.53) | TOP2AKDM4ENPC1ALDH1A1HPGD | |
| SCHEMBL3710917 | 0.81 | TOP2A (0.58) | TOP2AKDM4ENPC1ALDH1A1HPGD | |
| SCHEMBL206525 | 0.81 | PARP1 (0.52) | TOP2AKDM4ENPC1ALDH1A1HPGD | |
| SCHEMBL204764 | 0.81 | TOP2A (0.61) | TOP2AKDM4ENPC1ALDH1A1SMN1; SMN2 | |
| SCHEMBL205454 | 0.80 | TOP2A (0.48) | TOP2AKDM4ENPC1ALDH1A1HPGD | |
| SCHEMBL206391 | 0.80 | PARP1 (0.53) | TOP2APARP1HTR3AADA | |
| SCHEMBL206399 | 0.80 | HTR3A (0.53) | TOP2AKDM4ENPC1ALDH1A1HPGD | |
| SCHEMBL1387272 | 0.79 | PARP1 (0.58) | TOP2AKDM4ENPC1ALDH1A1HPGD |
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 |