Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 8/20 | 0.45 |
| ▸ | HTR1D | P28221 | 7/20 | 0.45 |
| ▸ | HTR1B | P28222 | 7/20 | 0.45 |
| ▸ | HTR2A | P28223 | 10/20 | 0.42 |
| ▸ | TRPM8 | Q7Z2W7 | 4/20 | 0.42 |
| ▸ | HTR2C | P28335 | 4/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | HTR7 | P34969 | 2/20 | 0.42 |
| ▸ | HTR6 | P50406 | 2/20 | 0.42 |
| ▸ | HTR4 | Q13639 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 2/20 | 0.42 |
| ▸ | MPO | P05164 | 1/20 | 0.42 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.42 |
| ▸ | HTR3B | O95264 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
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 | 0.77 | HTR2C (0.57) | HTR1AHTR1DHTR1BHTR2ATRPM8 | |
| SCHEMBL25057108 | 0.76 | HTR1A (0.72) | HTR1AHTR1DHTR1BHTR2ATRPM8 | |
| SCHEMBL21708858 | 0.73 | HTR2A (0.42) | HTR2AHTR2CHTR2BTAAR1 | |
| SCHEMBL21709098 | 0.72 | HTR2A (0.45) | HTR1AHTR1DHTR1BHTR2ATRPM8 | |
| SCHEMBL7850885 | 0.70 | HTR2A (0.63) | HTR1AHTR1DHTR1BHTR2ATRPM8 | |
| Hydrochloric Acid SCHEMBL7683721 | 0.69 | NPSR1 (0.64) | HTR1AHTR1DHTR1BHTR2ATRPM8 | |
| SCHEMBL21708877 | 0.69 | HTR2A (0.39) | HTR2ACYP1A2TSHRMAPTNFKB1 | |
| SCHEMBL17211932 | 0.68 | HTR1A (0.54) | HTR1AHTR1DHTR1BHTR2ATRPM8 | |
| SCHEMBL2534666 | 0.67 | HTR1A (0.72) | HTR1AHTR1DHTR1BHTR2ATRPM8 | |
| SCHEMBL17211933 | 0.67 | HTR2A (0.51) | HTR1AHTR1DHTR1BHTR2ATRPM8 |
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 |