Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 5/20 | 0.57 |
| ▸ | HTR2A | P28223 | 10/20 | 0.54 |
| ▸ | HTR1A | P08908 | 4/20 | 0.54 |
| ▸ | HTR1D | P28221 | 4/20 | 0.54 |
| ▸ | HTR7 | P34969 | 4/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.54 |
| ▸ | HTR1B | P28222 | 3/20 | 0.54 |
| ▸ | HTR6 | P50406 | 3/20 | 0.54 |
| ▸ | HTR2B | P41595 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | HTR5A | P47898 | 2/20 | 0.54 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.54 |
| ▸ | HTR3B | O95264 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | DRD1 | P21728 | 1/20 | 0.54 |
| ▸ | HTR1E | P28566 | 1/20 | 0.54 |
| ▸ | HTR1F | P30939 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL3807782 | 0.82 | HTR2C (0.70) | HTR2CHTR2AHTR1AHTR1DHTR7 | |
| SCHEMBL21709097 | 0.80 | HTR1D (0.45) | HTR2CHTR2AHTR1AHTR1DHTR7 | |
| SCHEMBL21709102 | 0.80 | KDM4E (0.42) | HTR2CHTR2AHTR1DCYP1A2HTR6 | |
| SCHEMBL14907350 | 0.78 | HTR2A (0.64) | HTR2CHTR2AHTR1AHTR1DHTR7 | |
| SCHEMBL14907363 | 0.77 | HTR2C (0.62) | HTR2CHTR2AHTR1AHTR1DHTR7 | |
| SCHEMBL21709104 | 0.77 | HTR1A (0.45) | HTR2CHTR2AHTR1AHTR1DHTR7 | |
| SCHEMBL12067616 | 0.73 | HTR2A (0.61) | HTR2CHTR2AHTR1AHTR1DHTR7 | |
| SCHEMBL21709093 | 0.73 | HTR2A (0.50) | HTR2CHTR2AHTR1AHTR1DHTR7 | |
| SCHEMBL1460686 | 0.73 | HTR2C (1.00) | HTR2CHTR2AHTR1AHTR1DHTR7 | |
| SCHEMBL2539018 | 0.71 | GPR84 (0.69) | HTR2CHTR2AHTR1AHTR1DHTR7 |
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 |