Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 6/20 | 0.57 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.54 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 5/20 | 0.50 |
| ▸ | RAB9A | P51151 | 5/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL3163394 | 0.90 | ADORA1 (0.51) | ADORA3MTNR1AMTNR1BCYP1A2CYP3A4 | |
| SCHEMBL3170716 | 0.89 | MAPT (0.53) | ADORA3CLK4KMT2AMEN1NPC1 | |
| SCHEMBL3168663 | 0.89 | ADORA1 (0.48) | ADORA3CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL3165176 | 0.88 | POLB (0.57) | ADORA3CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL3162824 | 0.88 | ADORA1 (0.47) | ADORA3CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL3171511 | 0.88 | ADORA3 (0.51) | ADORA3MTNR1AMTNR1BCYP1A2CYP3A4 | |
| SCHEMBL3166238 | 0.86 | ALDH1A1 (0.54) | ADORA3MTNR1AMTNR1BCYP1A2CYP3A4 | |
| SCHEMBL3161933 | 0.86 | CYP1A2 (0.58) | ADORA3MTNR1AMTNR1BCYP1A2CYP3A4 | |
| SCHEMBL3168745 | 0.86 | ADORA2A (0.56) | ADORA3MTNR1AMTNR1BCYP1A2CYP3A4 | |
| SCHEMBL3155352 | 0.86 | ALDH1A1 (0.47) | ADORA3CYP1A2CYP3A4CYP2D6TSHR |
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 |