Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3155741 | 0.92 | ADORA3 (0.48) | TSHRCYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL3162879 | 0.91 | UTS2R (0.44) | ADORA3GRIN2BADORA2AADORA2BADORA1 | |
| SCHEMBL3165572 | 0.89 | ALDH1A1 (0.42) | CYP2C19ADORA3KMT2AGRIN2BADORA2A | |
| SCHEMBL3156070 | 0.88 | TSHR (0.54) | TSHRCYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL3165120 | 0.86 | UTS2R (0.39) | ADORA3SMN1; SMN2USP2ADORA2AADORA2B | |
| SCHEMBL3156668 | 0.84 | MAPT (0.59) | TSHRCYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL3162796 | 0.82 | ADORA3 (0.53) | TSHRADORA3SMN1; SMN2USP2GAA | |
| SCHEMBL3165134 | 0.82 | ALDH1A1 (0.48) | ADORA3HTTSMN1; SMN2LMNAKMT2A | |
| SCHEMBL3163746 | 0.81 | ALDH1A1 (0.50) | ADORA3SMN1; SMN2MAPTGAAKMT2A | |
| SCHEMBL3165286 | 0.80 | USP2 (0.57) | TSHRADORA3HTTSMN1; SMN2LMNA |
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 |