Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 14/20 | 0.46 |
| ▸ | HTR2B | P41595 | 13/20 | 0.46 |
| ▸ | HTR2A | P28223 | 12/20 | 0.46 |
| ▸ | PDCD1 | Q15116 | 2/20 | 0.44 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 3/20 | 0.41 |
| ▸ | TLR9 | Q9NR96 | 2/20 | 0.40 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | HTR1D | P28221 | 1/20 | 0.40 |
| ▸ | HTR1E | P28566 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | HTR3A | P46098 | 1/20 | 0.40 |
| ▸ | HTR5A | P47898 | 1/20 | 0.40 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1262023 | 0.89 | PDCD1 (0.52) | HTR2CHTR2BHTR2APDCD1CD274 | |
| SCHEMBL3156931 | 0.89 | PDCD1 (0.54) | HTR2CHTR2BHTR2APDCD1CD274 | |
| Hydrochloric Acid SCHEMBL1263591 | 0.88 | PDCD1 (0.51) | HTR2CHTR2BHTR2APDCD1CD274 | |
| Hydrochloric Acid SCHEMBL30785571 | 0.88 | PDCD1 (0.53) | HTR2CHTR2BHTR2APDCD1CD274 | |
| SCHEMBL3883955 | 0.82 | HTR2C (0.44) | HTR2CHTR2BHTR2APDCD1CD274 | |
| SCHEMBL3881617 | 0.81 | APP (0.44) | PDCD1CD274TLR9TLR7TLR8 | |
| SCHEMBL17984877 | 0.78 | PDCD1 (0.40) | HTR2CHTR2BHTR2APDCD1CD274 | |
| SCHEMBL3879640 | 0.77 | PDCD1 (0.38) | HTR2CHTR2BHTR2APDCD1CD274 | |
| SCHEMBL3579620 | 0.76 | PPARD (0.43) | PDCD1CD274 | |
| SCHEMBL15933625 | 0.74 | PDCD1 (0.48) | HTR2CHTR2BHTR2APDCD1CD274 |
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 1 patent. 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 |