Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 2/20 | 0.31 |
| ▸ | HTR2A | P28223 | 2/20 | 0.31 |
| ▸ | HTR2C | P28335 | 2/20 | 0.31 |
| ▸ | HTR2B | P41595 | 2/20 | 0.31 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.31 |
| ▸ | HTR3B | O95264 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 1/20 | 0.31 |
| ▸ | HTR1D | P28221 | 1/20 | 0.31 |
| ▸ | HTR1B | P28222 | 1/20 | 0.31 |
| ▸ | HTR1E | P28566 | 1/20 | 0.31 |
| ▸ | HTR1F | P30939 | 1/20 | 0.31 |
| ▸ | HTR7 | P34969 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | HTR3A | P46098 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21709100 | 0.76 | MEN1 (0.33) | HTR2AHTR1DRECQLMAPT | |
| SCHEMBL21709087 | 0.76 | EGFR (0.42) | HTR1AHTR2AHTR2CHTR2BHTR3E | |
| Hydrochloric Acid SCHEMBL21693918 | 0.75 | EGFR (0.43) | HTR1AHTR2AHTR2CHTR2BHTR3E | |
| SCHEMBL21709093 | 0.67 | HTR2A (0.50) | HTR1AHTR2AHTR2CHTR2BHTR3E | |
| SCHEMBL8758848 | 0.66 | HTR2A (0.55) | HTR2AHTR6MAPT | |
| SCHEMBL21709094 | 0.63 | TAAR1 (0.32) | HTR2AHTR2CTAAR1 | |
| SCHEMBL21708941 | 0.62 | ADRB2 (0.46) | HTR1AHTR1DHTR1BHTR6MAPT | |
| SCHEMBL28672344 | 0.61 | HTR6 (0.46) | HTR1AHTR2AHTR2CHTR2BHTR3E | |
| SCHEMBL21708942 | 0.59 | SPR (0.42) | HTR1AHTR2CCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL14801810 | 0.58 | CHEK1 (0.37) | HTR2AHTR1DHTR6 |
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 |