Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 3/20 | 0.53 |
| ▸ | PDE7A | Q13946 | 2/20 | 0.39 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.37 |
| ▸ | HTR3B | O95264 | 2/20 | 0.37 |
| ▸ | HTR3A | P46098 | 2/20 | 0.37 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.37 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | HTR1D | P28221 | 1/20 | 0.35 |
| ▸ | HTR1B | P28222 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.35 |
| ▸ | NCF1 | P14598 | 1/20 | 0.35 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8801459 | 0.77 | HTR2C (0.51) | HTR2CPDE7AHTR3EHTR3BHTR3A | |
| SCHEMBL1786088 | 0.76 | HTR2C (0.54) | HTR2CPDE7AHTR2AHTR2B | |
| SCHEMBL22479609 | 0.76 | HTR2C (0.54) | HTR2CHTR2B | |
| SCHEMBL7092152 | 0.72 | HTR2C (0.80) | HTR2CHTR2AHTR2BGAATSHR | |
| SCHEMBL10254458 | 0.72 | PDE7A (0.47) | HTR2CPDE7AGAASIGMAR1 | |
| SCHEMBL30085857 | 0.72 | HTR2C (0.49) | HTR2CHTR2B | |
| SCHEMBL762110 | 0.72 | HTR2C (0.49) | HTR2CHTR2B | |
| SCHEMBL327595 | 0.71 | ALDH1A1 (0.46) | — | |
| Hydrochloric Acid SCHEMBL1788453 | 0.70 | HTR2C (0.47) | HTR2CHTR2B | |
| SCHEMBL31682394 | 0.67 | ADRA2A (0.46) | HTR2CHTR3EHTR3BHTR3AHTR3D |
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 |
|---|---|---|---|---|---|---|---|
| EP-2590955-B9 | SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS | ABBVIE BV (NL) | 2017-02-22 | — | — | EP | disclosed |