Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | UTS2R | Q9UKP6 | 5/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | WNT3A | P56704 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3162879 | 0.93 | UTS2R (0.44) | UTS2RSLC6A2ADRA2ADRD2HTR2A | |
| SCHEMBL3165120 | 0.92 | UTS2R (0.39) | ALDH1A1UTS2RSLC6A2ADRA2ADRD2 | |
| SCHEMBL3174273 | 0.89 | TSHR (0.46) | ALDH1A1ADORA3GRIN2BADORA2BADORA2A | |
| SCHEMBL3156798 | 0.88 | MEN1 (0.48) | ALDH1A1SIGMAR1ADORA3MEN1KMT2A | |
| SCHEMBL3164415 | 0.88 | ADORA2B (0.39) | UTS2RSLC6A2ADRA2ADRD2HTR2A | |
| SCHEMBL3155741 | 0.86 | ADORA3 (0.48) | ADORA3GRIN2BADORA2BCYP2C19 | |
| SCHEMBL3165011 | 0.86 | MEN1 (0.46) | ALDH1A1SIGMAR1ADORA3ADORA2BADORA2A | |
| SCHEMBL3165134 | 0.83 | ALDH1A1 (0.48) | ALDH1A1ADORA3ADORA2BADORA2AADORA1 | |
| SCHEMBL3163746 | 0.82 | ALDH1A1 (0.50) | ALDH1A1ADORA3ADORA2BADORA2AADORA1 | |
| SCHEMBL3164709 | 0.81 | NPC1 (0.47) | ALDH1A1ADORA3ADORA2BADORA2AADORA1 |
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-1465631-B1 | PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE | OSI PHARM INC (US) | 2010-02-24 | — | — | EP | disclosed |