Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3177423 | 0.86 | L3MBTL1 (0.40) | ALDH1A1KDM4ELMNAADORA2AADORA1 | |
| SCHEMBL3161848 | 0.86 | HPGD (0.49) | ALDH1A1HSD17B10KDM4EPOLBHPGD | |
| SCHEMBL3168515 | 0.85 | ADORA1 (0.42) | KDM4EADORA2AADORA1ADORA3 | |
| SCHEMBL3163125 | 0.83 | NPC1 (0.47) | ALDH1A1KDM4EPOLBHPGDMAPT | |
| SCHEMBL3164709 | 0.83 | NPC1 (0.47) | ALDH1A1KDM4EPOLBHPGDMAPT | |
| SCHEMBL3162358 | 0.83 | ADORA2A (0.41) | ADORA2AADORA1ADORA3 | |
| SCHEMBL3171920 | 0.81 | ADORA1 (0.47) | ALDH1A1KDM4EADORA2AADORA1ADORA3 | |
| SCHEMBL3170450 | 0.80 | KDM4E (0.51) | ALDH1A1HSD17B10KDM4EMAPTADORA2A | |
| SCHEMBL3171949 | 0.80 | PARP1 (0.47) | ALDH1A1KDM4EMAPTADORA2AADORA1 | |
| SCHEMBL3172018 | 0.79 | MEN1 (0.42) | ALDH1A1ADORA2AADORA1ADORA3 |
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 |