Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D | P28221 | 6/20 | 0.45 |
| ▸ | HTR2A | P28223 | 8/20 | 0.42 |
| ▸ | HTR2C | P28335 | 6/20 | 0.42 |
| ▸ | HTR2B | P41595 | 4/20 | 0.42 |
| ▸ | HTR1A | P08908 | 7/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 4/20 | 0.38 |
| ▸ | MPO | P05164 | 1/20 | 0.38 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | HTR1E | P28566 | 3/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21709103 | 0.80 | HTR2C (0.57) | HTR1DHTR2AHTR2CHTR2BHTR1A | |
| SCHEMBL25057123 | 0.79 | HTR1D (0.71) | HTR1DHTR2AHTR2CHTR2BHTR1A | |
| SCHEMBL21709105 | 0.77 | HTR1D (0.42) | HTR1DHTR2AHTR2CHTR2BHTR1A | |
| SCHEMBL21709102 | 0.77 | KDM4E (0.42) | HTR1DHTR2AHTR2CSLC6A4CYP1A2 | |
| SCHEMBL26989208 | 0.75 | HTR1A (0.66) | HTR1DHTR2AHTR2CHTR2BHTR1A | |
| SCHEMBL21709150 | 0.73 | CA12 (0.39) | HTR1ACYP2D6HSD17B10ADRA1AADRA1B | |
| SCHEMBL21709101 | 0.72 | HTR1A (0.46) | HTR1DHTR2AHTR2CHTR2BHTR1A | |
| SCHEMBL25057107 | 0.70 | HTR1D (0.55) | HTR1DHTR2AHTR2CHTR2BHTR1A | |
| SCHEMBL21708880 | 0.65 | CA12 (0.43) | CYP2D6HSD17B10ADRA1AADRA1BDRD3 | |
| SCHEMBL21708854 | 0.65 | CGAS (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020032080-A1 | COMPOUND, SALT OF COMPOUND, NEUROMODULATION AGENT, METHOD FOR EVALUATING NEUROMODULATION AGENT, METHOD FOR PRODUCING COMPOUND, AND METHOD FOR PRODUCING SALT OF COMPOUND | 学校法人慶應義塾 | 2020-02-13 | — | — | WO | disclosed |