Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.49 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.49 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.49 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | PPM1B | O75688 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| Benzoic Acid 2,3-Epoxypropyl Ester SCHEMBL14570069 | 0.81 | NPC1 (0.56) | TDP1MAPK1CHRNB2CHRNA5CHRNA7 | |
| Benzoic Acid 2,3-Epoxypropyl Ester SCHEMBL133986 | 0.81 | NPC1 (0.56) | TDP1MAPK1CHRNB2CHRNA5CHRNA7 | |
| Benzoic Acid 2,3-Epoxypropyl Ester SCHEMBL5604855 | 0.81 | NPC1 (0.56) | TDP1MAPK1CHRNB2CHRNA5CHRNA7 | |
| SCHEMBL172378 | 0.81 | TDP1 (0.52) | TDP1ALDH1A1MAPK1CHRNB2CHRNA5 | |
| Benzoic Acid 2,3-Epoxypropyl Ester SCHEMBL21245419 | 0.81 | NPC1 (0.56) | TDP1MAPK1CHRNB2CHRNA5CHRNA7 | |
| SCHEMBL26805624 | 0.80 | PPM1B (0.47) | TDP1ALDH1A1MAPK1POLBGAA | |
| SCHEMBL22522070 | 0.80 | CHRNB2 (0.47) | TDP1ALDH1A1MAPK1POLBGAA | |
| SCHEMBL12959081 | 0.79 | ALDH1A1 (0.57) | TDP1ALDH1A1MAPK1POLBGAA | |
| SCHEMBL6273371 | 0.79 | ALDH1A1 (0.53) | TDP1ALDH1A1MAPK1POLBGAA | |
| Benzoic Acid 2,3-Epoxypropyl Ester SCHEMBL6359889 | 0.79 | NPC1 (0.55) | TDP1CHRNB2CHRNA5CHRNA7CHRNA4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0632028-B1 | OPTICALLY ACTIVE 2-NITROIMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND INTERMEDIATE FOR PRODUCING THE SAME | POLA CHEM IND INC (JP) | 2003-04-02 | — | — | EP | disclosed |
| US-5532380-A | RADIOSENSITIZERS FOR CANCER THERAPY; PURE ENANTIOMORPHS | POLA CHEMICAL INDUSTRIES, INC. (JP) | 1996-07-02 | — | — | US | disclosed |
| EP-0632028-A1 | OPTICALLY ACTIVE 2-NITROIMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND INTERMEDIATE FOR PRODUCING THE SAME | POLA CHEMICAL INDUSTRIES, INC. (JP) | 1995-01-04 | — | — | EP | disclosed |
| EP-0072027-B1 | ANTIVIRAL COMPOUNDS | THE WELLCOME FOUNDATION LIMITED (GB) | 1988-05-18 | — | — | EP | disclosed |
| EP-0072027-A1 | Antiviral compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1983-02-16 | — | — | EP | disclosed |