Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.48 |
| ▸ | HPGD | P15428 | 4/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3164656 | 0.90 | MEN1 (0.46) | SMN1; SMN2HPGDTSHRMEN1KMT2A | |
| SCHEMBL3174310 | 0.89 | ADORA2A (0.43) | ALDH1A1KDM4EP2RY12 | |
| SCHEMBL3161848 | 0.88 | HPGD (0.49) | HPGDTSHRALDH1A1GAAMAPT | |
| SCHEMBL3170604 | 0.86 | ADORA2A (0.40) | TSHRKMT2AALDH1A1MAPTCYP3A4 | |
| SCHEMBL3174594 | 0.85 | ADORA2A (0.45) | TSHRALDH1A1MAPTCYP3A4CYP2C9 | |
| SCHEMBL3166225 | 0.85 | ADORA2A (0.45) | TSHRALDH1A1MAPTCYP3A4CYP2C9 | |
| SCHEMBL3155863 | 0.85 | NPC1 (0.40) | SMN1; SMN2NPC1RAB9AMEN1KMT2A | |
| SCHEMBL3162937 | 0.84 | ADORA2A (0.46) | TSHRALDH1A1MAPTCYP3A4KDM4E | |
| SCHEMBL3169774 | 0.81 | ADORA2A (0.43) | TSHRALDH1A1MAPTCYP3A4KDM4E | |
| SCHEMBL3161815 | 0.80 | ADORA2A (0.42) | HTTTSHRKMT2AALDH1A1MAPT |
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 |