Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | C5AR1 | P21730 | 5/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17984480 | 0.77 | CLPP (0.50) | CYP2C9CYP1A2C5AR1MEN1ALDH1A1 | |
| SCHEMBL19674833 | 0.76 | CYP2C9 (0.49) | CYP2C19CYP2C9CYP1A2KDM4EALDH1A1 | |
| SCHEMBL17984825 | 0.76 | CYP2C19 (0.49) | CYP2C19CYP2C9CYP1A2C5AR1KDM4E | |
| SCHEMBL19664886 | 0.73 | HTR2A (0.46) | — | |
| Hydrochloric Acid SCHEMBL19664880 | 0.72 | HTR2A (0.45) | MAPT | |
| SCHEMBL19674840 | 0.69 | CYP2C9 (0.44) | CYP2C19CYP2C9KDM4EMEN1ALDH1A1 | |
| SCHEMBL17984232 | 0.69 | C5AR1 (0.38) | CYP2C19CYP2C9CYP1A2C5AR1ALDH1A1 | |
| SCHEMBL19674721 | 0.67 | CYP2C9 (0.42) | CYP2C19CYP2C9HRH4 | |
| SCHEMBL28162565 | 0.66 | ADORA2A (0.31) | — | |
| SCHEMBL19674707 | 0.64 | CYP2C9 (0.42) | CYP2C19CYP2C9KDM4EMEN1ALDH1A1 |
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 |