Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 7/20 | 0.68 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.58 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.56 |
| ▸ | AHR | P35869 | 1/20 | 0.48 |
| ▸ | SOS1 | Q07889 | 3/20 | 0.47 |
| ▸ | HTR2C | P28335 | 4/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.47 |
| ▸ | HTR1A | P08908 | 3/20 | 0.47 |
| ▸ | HTR2B | P41595 | 3/20 | 0.47 |
| ▸ | HTR7 | P34969 | 2/20 | 0.47 |
| ▸ | HTR1D | P28221 | 2/20 | 0.47 |
| ▸ | HTR1B | P28222 | 2/20 | 0.47 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.47 |
| ▸ | HTR1E | P28566 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7429681 | 1.00 | HTR2A (0.68) | HTR2AGPR84TRPM8AHRSOS1 | |
| SCHEMBL4373291 | 1.00 | HTR2A (0.68) | HTR2AGPR84TRPM8AHRSOS1 | |
| SCHEMBL10078141 | 0.89 | GPR84 (0.58) | HTR2AGPR84TRPM8SOS1HTR2C | |
| SCHEMBL9526444 | 0.83 | HTR2C (0.68) | HTR2AHTR2CSLC6A4HTR1AHTR2B | |
| SCHEMBL7434709 | 0.83 | GPR84 (0.58) | HTR2AGPR84TRPM8SOS1HTR2C | |
| SCHEMBL7426732 | 0.83 | HTR2A (0.56) | HTR2AHTR2CSLC6A4HTR1AHTR2B | |
| SCHEMBL7436105 | 0.83 | HTR2A (0.56) | HTR2AHTR2CSLC6A4HTR1AHTR2B | |
| SCHEMBL19047013 | 0.83 | HTR2C (0.68) | HTR2AHTR2CSLC6A4HTR1AHTR2B | |
| SCHEMBL22796513 | 0.83 | HTR2A (0.56) | HTR2AHTR2CSLC6A4HTR1AHTR2B | |
| SCHEMBL7439210 | 0.83 | HTR2A (0.68) | HTR2AGPR84TRPM8HTR2CSLC6A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017044633-A1 | PEPTIDOMIMETIC MACROCYCLES AS MODULATORS OF MCL-1 | AILERON THERAPEUTICS, INC. (US) | 2017-03-16 | — | — | WO | disclosed |
| WO-2012021876-A2 | PEPTIDOMIMETIC MACROCYCLES | AILERON THERAPEUTICS, INC. (US) | 2012-02-16 | — | — | WO | disclosed |