Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 4/20 | 0.33 |
| ▸ | HTR2A | P28223 | 3/20 | 0.33 |
| ▸ | HTR2B | P41595 | 3/20 | 0.33 |
| ▸ | HTR2C | P28335 | 3/20 | 0.33 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 1/20 | 0.32 |
| ▸ | HTR1D | P28221 | 1/20 | 0.32 |
| ▸ | HTR1B | P28222 | 1/20 | 0.32 |
| ▸ | HTR1E | P28566 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.32 |
| ▸ | HTR7 | P34969 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | HTR5A | P47898 | 1/20 | 0.32 |
| ▸ | HTR6 | P50406 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12733143 | 0.82 | P2RX7 (0.42) | CDK1CDK2GPR84P2RX7NR4A2 | |
| SCHEMBL153944 | 0.78 | ALDH1A1 (0.37) | GPR84MAOAHTR2AHTR2BHTR2C | |
| SCHEMBL826132 | 0.77 | HTR2C (0.31) | GPR84MAOAHTR2AHTR2BHTR2C | |
| Phosphine SCHEMBL27314409 | 0.77 | ALDH1A1 (0.36) | GPR84MAOAHTR2AHTR2BHTR2C | |
| SCHEMBL4420013 | 0.76 | HTR2C (0.39) | GPR84MAOAHTR2AHTR2BHTR2C | |
| Acetic Acid SCHEMBL16324696 | 0.75 | GAA (0.40) | GPR84P2RX7NR4A2CYP3A4 | |
| SCHEMBL17417691 | 0.75 | F7 (0.50) | P2RX7NR4A2CHRM1TBXA2R | |
| SCHEMBL5268855 | 0.74 | ALDH1A1 (0.35) | MAOAHTR1AHTR7HTR6 | |
| Acetic Acid SCHEMBL1278526 | 0.74 | ALDH1A1 (0.36) | P2RX7NR4A2 | |
| Acetic Acid SCHEMBL4229015 | 0.74 | ALDH1A1 (0.36) | P2RX7NR4A2 |
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-2012003478-A2 | DETECTING TARGETS USING MASS TAGS AND MASS SPECTROMETRY | VENTANA MEDICAL SYSTEMS, INC. (US) | 2012-01-05 | — | — | WO | disclosed |