Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1B | P35368 | 3/20 | 0.35 |
| ▸ | HTR1A | P08908 | 2/20 | 0.35 |
| ▸ | PARP1 | P09874 | 2/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.33 |
| ▸ | HTR7 | P34969 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 | |
|---|---|---|---|---|
| Formamide SCHEMBL21274109 | 0.88 | PARP1 (0.36) | ADRA1BHTR1APARP1ADRA1DADRA1A | |
| SCHEMBL21281500 | 0.82 | ADRA1A (0.45) | ADRA1BHTR1APARP1ADRA1DADRA1A | |
| SCHEMBL21285605 | 0.81 | ADRA1B (0.38) | ADRA1BHTR1APARP1ADRA1DADRA1A | |
| SCHEMBL21285495 | 0.80 | PARP1 (0.42) | ADRA1BPARP1ADRA1DADRA1AHTR7 | |
| SCHEMBL21268787 | 0.80 | PARP1 (0.42) | ADRA1BHTR1APARP1ADRA1DADRA1A | |
| SCHEMBL21273937 | 0.80 | ADRA1A (0.37) | ADRA1BHTR1APARP1ADRA1DADRA1A | |
| SCHEMBL21274397 | 0.80 | HTR1A (0.37) | ADRA1BHTR1APARP1ADRA1DADRA1A | |
| SCHEMBL21273954 | 0.79 | PARP1 (0.45) | ADRA1BHTR1APARP1ADRA1DADRA1A | |
| SCHEMBL21281450 | 0.77 | HRH3 (0.42) | HRH3SLC18A3 | |
| SCHEMBL21268806 | 0.77 | HRH3 (0.42) | HRH3SLC18A3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112105357-A | Pharmaceutically acceptable 6,5 heterobicyclic derivatives | UCB生物制药有限责任公司 | 2020-12-18 | — | — | CN | claimed |
| CN-112105357-A | Pharmaceutically acceptable 6,5 heterobicyclic derivatives | UCB生物制药有限责任公司 | 2020-12-18 | — | — | CN | disclosed |