Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | JAK2 | O60674 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.54 |
| ▸ | CHRM2 | P08172 | 8/20 | 0.53 |
| ▸ | CHRM1 | P11229 | 8/20 | 0.53 |
| ▸ | CHRM3 | P20309 | 8/20 | 0.53 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6003172 | 0.94 | NPC1 (0.62) | NPC1JAK2RAB9APAX8CHRM2 | |
| SCHEMBL6002673 | 0.94 | NPC1 (0.62) | NPC1JAK2RAB9APAX8CHRM2 | |
| SCHEMBL6002887 | 0.94 | NPC1 (0.62) | NPC1JAK2RAB9APAX8CHRM2 | |
| SCHEMBL6003592 | 0.94 | NPC1 (0.62) | NPC1JAK2RAB9APAX8CHRM2 | |
| SCHEMBL6001688 | 0.85 | NPC1 (0.55) | NPC1JAK2RAB9APAX8CHRM2 | |
| SCHEMBL6003328 | 0.84 | NPC1 (0.51) | NPC1JAK2RAB9APAX8CHRM2 | |
| SCHEMBL6780126 | 0.84 | NPC1 (0.57) | NPC1JAK2RAB9APAX8CHRM2 | |
| SCHEMBL27658290 | 0.84 | NPC1 (0.54) | NPC1JAK2RAB9APAX8CHRM2 | |
| SCHEMBL514163 | 0.83 | TSHR (0.63) | TP53ALDH1A1GLATSHRKMT2A | |
| SCHEMBL28333250 | 0.83 | ATM (0.53) | NPC1JAK2RAB9APAX8CHRM2 |
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 |