Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHAT | P28329 | 3/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 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 | |
|---|---|---|---|---|
| SCHEMBL1611013 | 0.80 | CHAT (0.43) | CHATCA1CA2CYP2A6ALDH1A1 | |
| SCHEMBL4916037 | 0.79 | CA1 (0.36) | CHATCA1CA2CYP2A6ALDH1A1 | |
| SCHEMBL6003313 | 0.77 | CA1 (0.40) | CHATCA1CA2CYP2A6ALDH1A1 | |
| SCHEMBL1611479 | 0.72 | CHAT (0.40) | CHATCA1CA2CYP2A6ALDH1A1 | |
| SCHEMBL27593533 | 0.71 | CA1 (0.67) | CHATCA1CA2CYP2A6ALDH1A1 | |
| SCHEMBL50728 | 0.69 | CA1 (0.40) | CHATCA1CA2CYP2A6ALDH1A1 | |
| SCHEMBL1610598 | 0.69 | CHAT (0.38) | CHATCA1CA2CYP2A6ALDH1A1 | |
| SCHEMBL59702 | 0.69 | CA1 (0.69) | CHATCA1CA2CYP2A6ALDH1A1 | |
| SCHEMBL1663806 | 0.69 | ALDH1A1 (0.48) | CHATCA1CA2CYP2A6ALDH1A1 | |
| SCHEMBL5865111 | 0.69 | CA1 (0.47) | CHATCA1CA2CYP2A6ALDH1A1 |
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 |