Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 10/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 10/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 10/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 8/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CASR | P41180 | 1/20 | 0.39 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6942344 | 0.82 | ADORA2A (0.46) | ALDH1A1SMN1; SMN2LMNATSHRHSD17B10 | |
| SCHEMBL2315140 | 0.68 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2LMNATSHRHSD17B10 | |
| SCHEMBL6236060 | 0.63 | TDP1 (0.56) | ALDH1A1LMNATSHRHSD17B10KDM4E | |
| SCHEMBL28256132 | 0.63 | HSD17B10 (0.44) | ALDH1A1SMN1; SMN2LMNATSHRHSD17B10 | |
| SCHEMBL6947698 | 0.62 | ADORA3 (0.44) | ALDH1A1SMN1; SMN2HSD17B10KDM4EMAPT | |
| SCHEMBL9352337 | 0.62 | ALOX5 (0.51) | ALDH1A1SMN1; SMN2LMNATSHRHSD17B10 | |
| SCHEMBL6947886 | 0.61 | ALOX5 (0.50) | ALDH1A1SMN1; SMN2LMNATSHRHSD17B10 | |
| SCHEMBL24309931 | 0.61 | CYP1A2 (0.44) | ALDH1A1SMN1; SMN2LMNATSHRHSD17B10 | |
| SCHEMBL5803272 | 0.60 | CYP1A2 (0.60) | ALDH1A1SMN1; SMN2LMNATSHRHSD17B10 | |
| SCHEMBL1127410 | 0.60 | L3MBTL1 (0.44) | ALDH1A1TSHRHSD17B10KDM4EMAPT |
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 |