Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 6/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 6/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 6/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.46 |
| ▸ | TSHR | P16473 | 5/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | CASR | P41180 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.44 |
| ▸ | HPGD | P15428 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TMIGD3 | P0DMS9 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6947701 | 0.82 | ALDH1A1 (0.41) | ADORA2AADORA2BADORA1ADORA3ALDH1A1 | |
| SCHEMBL10474834 | 0.66 | LMNA (0.41) | LMNA | |
| SCHEMBL6942339 | 0.66 | ADORA2A (0.42) | ADORA2AADORA2BADORA1ADORA3ALDH1A1 | |
| SCHEMBL10386841 | 0.65 | MAPT (0.46) | ALDH1A1TSHRSMN1; SMN2LMNAPKM | |
| SCHEMBL18968587 | 0.63 | ALDH1A1 (0.64) | ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10 | |
| SCHEMBL23885195 | 0.63 | ADORA3 (0.44) | ADORA2AADORA2BADORA1ADORA3TSHR | |
| SCHEMBL1692456 | 0.63 | FDPS (0.56) | ADORA2BALDH1A1TSHRLMNAMEN1 | |
| SCHEMBL8791207 | 0.62 | ALDH1A1 (0.65) | ADORA2AALDH1A1TSHRSMN1; SMN2LMNA | |
| SCHEMBL23885598 | 0.62 | ADORA3 (0.43) | ADORA2AADORA2BADORA1ADORA3TMIGD3 | |
| SCHEMBL10387143 | 0.62 | CTSD (0.61) | ALDH1A1LMNAHSD17B10HPGDL3MBTL1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1349857-A1 | PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2003-10-08 | — | — | EP | disclosed |
| WO-2002055521-A1 | PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2002-07-18 | — | — | WO | disclosed |