Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGMT | P16455 | 2/20 | 0.53 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.48 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.48 |
| ▸ | SLC29A1 | Q99808 | 4/20 | 0.48 |
| ▸ | PNP | P00491 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.44 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | NT5E | P21589 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | HBB | P68871 | 1/20 | 0.41 |
| ▸ | PDE2A | O00408 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6016114 | 0.90 | PNP (0.56) | MGMTADORA2AADORA2BSLC29A1PNP | |
| SCHEMBL19631163 | 0.90 | PNP (0.56) | MGMTADORA2AADORA2BSLC29A1PNP | |
| SCHEMBL8826156 | 0.86 | SLC29A1 (0.65) | ADORA2ASLC29A1TP53ADORA3ADORA1 | |
| SCHEMBL8376939 | 0.85 | CYP1A2 (0.43) | MGMTADORA2ASLC29A1PNPLMNA | |
| SCHEMBL8939245 | 0.84 | PNP (0.48) | ADORA2AADORA2BSLC29A1PNPLMNA | |
| SCHEMBL8830322 | 0.84 | PNP (0.46) | ADORA2AADORA2BSLC29A1PNPLMNA | |
| SCHEMBL9360335 | 0.84 | PNP (0.46) | ADORA2AADORA2BSLC29A1PNPLMNA | |
| SCHEMBL8826276 | 0.84 | PNP (0.46) | ADORA2AADORA2BSLC29A1PNPLMNA | |
| SCHEMBL8826175 | 0.83 | ADORA3 (0.53) | ADORA2AADORA2BSLC29A1TP53ADORA3 | |
| SCHEMBL8971129 | 0.81 | SLC29A1 (0.62) | MGMTADORA2AADORA2BSLC29A1PDE4D |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5663154-A | VIRICIDES, HIV, HEPATITIS | GLAXO WELLCOME INC. (US) | 1997-09-02 | — | — | US | claimed |
| WO-1993014103-A1 | THERAPEUTIC NUCLEOSIDES | THE WELLCOME FOUNDATION LIMITED (GB) | 1993-07-22 | — | — | WO | claimed |
| US-5663154-A | VIRICIDES, HIV, HEPATITIS | GLAXO WELLCOME INC. (US) | 1997-09-02 | — | — | US | disclosed |
| WO-1993014103-A1 | THERAPEUTIC NUCLEOSIDES | THE WELLCOME FOUNDATION LIMITED (GB) | 1993-07-22 | — | — | WO | disclosed |