Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 3/20 | 0.35 |
| ▸ | HTR2B | P41595 | 2/20 | 0.35 |
| ▸ | HTR5A | P47898 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HTR1D | P28221 | 1/20 | 0.33 |
| ▸ | HTR1B | P28222 | 1/20 | 0.33 |
| ▸ | SRD5A1 | P18405 | 4/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28114067 | 0.89 | ESR1 (0.36) | PARP1PARP10HTR2CHTR2BHTR5A | |
| SCHEMBL27771607 | 0.80 | CA9 (0.47) | KMT2AMAPTMEN1 | |
| SCHEMBL27825250 | 0.80 | CMA1 (0.41) | PARP1PARP10HTR2CHTR2BHTR2A | |
| SCHEMBL27545193 | 0.80 | ESR2 (0.43) | ACHE | |
| SCHEMBL1550271 | 0.77 | MTNR1A (0.42) | HTR2AMAPTNPC1 | |
| SCHEMBL30929595 | 0.77 | MTNR1A (0.42) | HTR2AMAPTNPC1 | |
| SCHEMBL27844296 | 0.76 | GRIN2B (0.36) | HTR2CHTR2BHTR2A | |
| SCHEMBL22660299 | 0.75 | FABP6 (0.39) | TRPV1MAPT | |
| SCHEMBL27844279 | 0.75 | NPC1 (0.42) | KMT2AMAPTMEN1NPC1 | |
| SCHEMBL13496703 | 0.75 | HTR5A (0.36) | PARP1PARP10HTR5AKMT2ACYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103827101-B | Dicyclo dihydroquinoline-2-ketone derivatives | 霍夫曼-拉罗奇有限公司 | 2016-12-07 | — | — | CN | disclosed |