Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 10/20 | 0.45 |
| ▸ | HTR2C | P28335 | 5/20 | 0.42 |
| ▸ | HTR1D | P28221 | 9/20 | 0.39 |
| ▸ | HTR1A | P08908 | 8/20 | 0.39 |
| ▸ | HTR1B | P28222 | 8/20 | 0.39 |
| ▸ | HTR2B | P41595 | 2/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | TRPM8 | Q7Z2W7 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | HTR7 | P34969 | 3/20 | 0.36 |
| ▸ | HTR6 | P50406 | 3/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | HTR4 | Q13639 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MPO | P05164 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21709092 | 0.77 | HTR2C (0.57) | HTR2AHTR2CHTR1DHTR1AHTR1B | |
| SCHEMBL21709104 | 0.72 | HTR1A (0.45) | HTR2AHTR2CHTR1DHTR1AHTR1B | |
| SCHEMBL25057108 | 0.71 | HTR1A (0.72) | HTR2AHTR2CHTR1DHTR1AHTR1B | |
| SCHEMBL1971484 | 0.67 | HTR2A (0.67) | HTR2AHTR2CHTR1DHTR1AHTR1B | |
| SCHEMBL3210741 | 0.67 | HTR2A (0.67) | HTR2AHTR2CHTR1DHTR1AHTR1B | |
| SCHEMBL2541508 | 0.66 | HTR2A (0.65) | HTR2AHTR2CHTR1DHTR1AHTR1B | |
| SCHEMBL8549376 | 0.66 | HTR1A (0.55) | HTR2AHTR2CHTR1DHTR1AHTR1B | |
| SCHEMBL8544820 | 0.65 | HTR1A (0.54) | HTR2AHTR2CHTR1DHTR1AHTR1B | |
| SCHEMBL8543442 | 0.65 | HTR1A (0.54) | HTR2AHTR2CHTR1DHTR1AHTR1B | |
| SCHEMBL21708858 | 0.64 | HTR2A (0.42) | HTR2AHTR2CHTR2BTAAR1 |
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 |