Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTSR1 | P30989 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.44 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.43 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.43 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 4/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3175820 | 0.92 | MEN1 (0.46) | NTSR1HTR1AMEN1KMT2AADRA2A | |
| SCHEMBL3260451 | 0.89 | SLC1A2 (0.52) | NTSR1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL3156095 | 0.88 | SLC1A2 (0.46) | CYP1A2CYP3A4CYP2D6TSHRCYP2C19 | |
| SCHEMBL3169692 | 0.88 | ADORA3 (0.47) | NTSR1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL3156223 | 0.84 | KMT2A (0.42) | CYP1A2CYP3A4CYP2D6CYP2C19CLK4 | |
| SCHEMBL3164424 | 0.84 | ADORA2A (0.41) | CYP1A2CYP3A4CYP2D6TSHRCYP2C19 | |
| SCHEMBL3166495 | 0.84 | SLC1A2 (0.44) | CYP1A2CYP3A4CYP2D6TSHRCYP2C19 | |
| SCHEMBL3170204 | 0.84 | KMT2A (0.43) | TSHRHTR1AADORA3SMN1; SMN2MEN1 | |
| SCHEMBL3156119 | 0.83 | PHGDH (0.42) | TSHRADORA3SMN1; SMN2MEN1NPC1 | |
| SCHEMBL3175769 | 0.83 | ADORA2A (0.45) | CYP1A2CYP3A4CYP2D6TSHRCYP2C19 |
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 |