Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.60 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.56 |
| ▸ | SLC29A1 | Q99808 | 7/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HK1 | P19367 | 1/20 | 0.40 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.40 |
| ▸ | MPO | P05164 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7814637 | 0.84 | CYP1A2 (0.59) | CYP1A2CYP2C19CYP2C9HIF1ACYP3A4 | |
| SCHEMBL7806600 | 0.84 | CYP1A2 (0.59) | CYP1A2CYP2C19CYP2C9HIF1ACYP3A4 | |
| SCHEMBL13645718 | 0.79 | HSP90AB1 (0.51) | CYP2C19 | |
| SCHEMBL7816726 | 0.78 | ALDH1A1 (0.55) | CYP1A2CYP2C19CYP2C9HIF1ACYP3A4 | |
| SCHEMBL28451668 | 0.77 | HSP90AB1 (0.49) | CYP2C19 | |
| SCHEMBL17595248 | 0.76 | CYP1A2 (1.00) | CYP1A2CYP2C19CYP2C9HIF1ACYP3A4 | |
| SCHEMBL7806517 | 0.72 | CYP1A2 (0.59) | CYP1A2CYP2C19CYP2C9HIF1ACYP3A4 | |
| SCHEMBL3156963 | 0.71 | KDM4E (0.67) | CYP2C19ALDH1A1 | |
| SCHEMBL7819883 | 0.71 | ALDH1A1 (0.52) | CYP1A2CYP2C19CYP2C9HIF1ACYP3A4 | |
| SCHEMBL10917478 | 0.70 | HSP90AB1 (0.50) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0352953-B1 | Process for the preparation of purine derivatives | BEECHAM GROUP PLC (GB) | 2001-01-03 | — | — | EP | disclosed |
| US-5017701-A | Process for the preparation of purine derivatives | BEECHAM GROUP, P.L.C. (GB) | 1991-05-21 | — | — | US | disclosed |
| EP-0352953-A2 | Process for the preparation of purine derivatives | BEECHAM GROUP PLC (GB) | 1990-01-31 | — | — | EP | disclosed |