Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 6/20 | 0.39 |
| ▸ | HTR1D | P28221 | 3/20 | 0.39 |
| ▸ | HTR1A | P08908 | 2/20 | 0.39 |
| ▸ | HTR1B | P28222 | 1/20 | 0.39 |
| ▸ | HTR1F | P30939 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.36 |
| ▸ | SPR | P35270 | 1/20 | 0.33 |
| ▸ | ICMT | O60725 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| SCHEMBL21709087 | 0.82 | EGFR (0.42) | HTR6HTR1DHTR1AHTR1BHTR1F | |
| SCHEMBL21708936 | 0.81 | HTR6 (0.42) | HTR6BCHEMAPT | |
| Hydrochloric Acid SCHEMBL21693918 | 0.81 | EGFR (0.43) | HTR6HTR1DHTR1AHTR1BHTR1F | |
| SCHEMBL21708942 | 0.78 | SPR (0.42) | HTR6HTR1DHTR1AHTR1BHTR1F | |
| SCHEMBL25057123 | 0.70 | HTR1D (0.71) | HTR6HTR1DHTR1AHTR1BHTR1F | |
| SCHEMBL28672344 | 0.65 | HTR6 (0.46) | HTR6HTR1DHTR1AHTR1BHTR1F | |
| SCHEMBL18602059 | 0.64 | HTR6 (0.45) | HTR6HTR1DHTR1AHTR1BHTR1F | |
| SCHEMBL1120469 | 0.63 | KCNH2 (0.38) | HTR6 | |
| SCHEMBL21708941 | 0.62 | ADRB2 (0.46) | HTR6HTR1DHTR1AHTR1BMAOA | |
| SCHEMBL21709100 | 0.62 | MEN1 (0.33) | HTR1DHTR2AMEN1MAPTKMT2A |
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 |