Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | C5AR1 | P21730 | 13/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 2/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17984231 | 0.81 | CLPP (0.52) | C5AR1CYP1A2GAACYP2C9 | |
| SCHEMBL19674708 | 0.74 | HTR2A (0.43) | ALDH1A1CYP1A2GAACYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL19664791 | 0.73 | HTR2A (0.43) | ALDH1A1CYP1A2GAACYP2C9CYP2C19 | |
| SCHEMBL17984896 | 0.69 | CYP2C9 (0.35) | ALDH1A1CYP1A2CYP2C9CYP2C19THRB | |
| SCHEMBL17985017 | 0.69 | CYP2C19 (0.43) | C5AR1ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL19674740 | 0.68 | CYP2C9 (0.44) | ALDH1A1CYP1A2GAACYP2C9CYP2C19 | |
| SCHEMBL28162541 | 0.68 | ALDH1A1 (0.35) | ALDH1A1CYP1A2GAACYP2C9CYP2C19 | |
| SCHEMBL19674707 | 0.63 | CYP2C9 (0.42) | ALDH1A1CYP2C9CYP2C19GRM5 | |
| SCHEMBL23586188 | 0.62 | PDE4B (0.54) | ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL15948070 | 0.62 | SOS1 (0.43) | ALDH1A1 |
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-3252059-A1 | ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE | Medshine Discovery Inc. (CN) | 2017-12-06 | — | — | EP | disclosed |
| WO-2016119706-A1 | ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE | 南京明德新药研发股份有限公司 | 2016-08-04 | — | — | WO | disclosed |