Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.38 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAT2A | P31153 | 1/20 | 0.33 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | SREBF2 | Q12772 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.32 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.32 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27610348 | 0.82 | KCNH2 (0.38) | SREBF2MEN1KMT2A | |
| SCHEMBL2090661 | 0.81 | CYP2A6 (0.35) | CYP2A6ALDH1A1POLBKDM4EKEAP1 | |
| SCHEMBL5545094 | 0.79 | CYP2A6 (0.33) | CYP2A6KDM4EMAPTSREBF2LMNA | |
| SCHEMBL6003055 | 0.78 | CYP1A2 (0.33) | CYP2A6ALDH1A1POLBKDM4EMAPT | |
| SCHEMBL5547712 | 0.76 | CYP2A6 (0.32) | CYP2A6 | |
| SCHEMBL5540132 | 0.75 | CYP2A6 (0.31) | CYP2A6 | |
| SCHEMBL2093207 | 0.75 | CYP2A6 (0.46) | CYP2A6ALDH1A1POLBKDM4EMAT2A | |
| SCHEMBL2095295 | 0.74 | CYP2A6 (0.30) | CYP2A6 | |
| SCHEMBL2093202 | 0.72 | CYP2A6 (0.38) | CYP2A6POLBKEAP1NFE2L2NR4A2 | |
| SCHEMBL2094596 | 0.67 | CYP2A6 (0.39) | CYP2A6ALDH1A1KDM4EKEAP1NFE2L2 |
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-1678185-A1 | 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2006-07-12 | — | — | EP | disclosed |
| WO-2005042542-A1 | 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2005-05-12 | — | — | WO | disclosed |