Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.53 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.53 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.53 |
| ▸ | SLC29A1 | Q99808 | 6/20 | 0.51 |
| ▸ | PGK1 | P00558 | 1/20 | 0.49 |
| ▸ | PGK2 | P07205 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8529274 | 0.92 | ALDH1A1 (0.53) | CYP2C19ADORA1ADORA2AADORA3ADORA2B | |
| SCHEMBL8532634 | 0.91 | ALDH1A1 (0.57) | CYP2C19ADORA1ADORA2AADORA3ADORA2B | |
| SCHEMBL8532515 | 0.90 | CYP2C19 (0.52) | CYP2C19ADORA1ADORA2AADORA3ADORA2B | |
| SCHEMBL8529895 | 0.88 | P2RY11 (0.54) | CYP2C19ADORA1ADORA2AADORA3ADORA2B | |
| SCHEMBL8529993 | 0.88 | SLC29A1 (0.53) | CYP2C19ADORA1ADORA2AADORA3ADORA2B | |
| Nelarabine SCHEMBL18321891 | 0.86 | CYP2C19 (0.71) | CYP2C19ADORA1ADORA2AADORA3ADORA2B | |
| Nelarabine SCHEMBL13575801 | 0.86 | CYP2C19 (0.71) | CYP2C19ADORA1ADORA2AADORA3ADORA2B | |
| Nelarabine SCHEMBL18820 | 0.86 | CYP2C19 (0.71) | CYP2C19ADORA1ADORA2AADORA3ADORA2B | |
| Nelarabine SCHEMBL20769831 | 0.86 | CYP2C19 (0.71) | CYP2C19ADORA1ADORA2AADORA3ADORA2B | |
| Nelarabine SCHEMBL1818971 | 0.86 | CYP2C19 (0.71) | CYP2C19ADORA1ADORA2AADORA3ADORA2B |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5821236-A | Tumor treatment with arabinofuranosyl purine derivatives | GLAXO WELLCOME INC. (US) | 1998-10-13 | — | — | US | claimed |
| US-5821236-A | Tumor treatment with arabinofuranosyl purine derivatives | GLAXO WELLCOME INC. (US) | 1998-10-13 | — | — | US | disclosed |
| US-5747472-A | ANTICARCINOGENIC AGENTS AND ANTITUMOR AGENTS | GLAXO WELLCOME INC. (US) | 1998-05-05 | — | — | US | disclosed |
| US-5492897-A | ANTITUMOR AGENTS, AUTOIMMUNE DISEASES | BURROUGHS WELLCOME CO. (141) (US) | 1996-02-20 | — | — | US | disclosed |
| WO-1992001456-A1 | HETEROCYCLIC COMPOUNDS | THE WELLCOME FOUNDATION LIMITED (GB) | 1992-02-06 | — | — | WO | disclosed |