Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 16/20 | 0.68 |
| ▸ | NPC1 | O15118 | 2/20 | 0.60 |
| ▸ | PRKCA | P17252 | 6/20 | 0.57 |
| ▸ | CTSV | O60911 | 1/20 | 0.55 |
| ▸ | CTSL | P07711 | 1/20 | 0.55 |
| ▸ | CTSB | P07858 | 1/20 | 0.55 |
| ▸ | CTSH | P09668 | 1/20 | 0.55 |
| ▸ | CTSS | P25774 | 1/20 | 0.55 |
| ▸ | CTSK | P43235 | 1/20 | 0.55 |
| ▸ | CASP4 | P49662 | 1/20 | 0.55 |
| ▸ | MMP14 | P50281 | 1/20 | 0.55 |
| ▸ | CTSC | P53634 | 1/20 | 0.55 |
| ▸ | BACE1 | P56817 | 1/20 | 0.55 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.55 |
| ▸ | CTSZ | Q9UBR2 | 1/20 | 0.55 |
| ▸ | KLK4 | Q9Y5K2 | 1/20 | 0.55 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.51 |
| ▸ | CLK1 | P49759 | 2/20 | 0.51 |
| ▸ | CLK2 | P49760 | 2/20 | 0.51 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL29444624 | 0.88 | NPC1 (0.74) | CDK1NPC1PRKCACCNB1CLK1 | |
| SCHEMBL3352454 | 0.88 | NPC1 (0.74) | CDK1NPC1PRKCACCNB1CLK1 | |
| SCHEMBL5839910 | 0.87 | CDK1 (0.69) | CDK1NPC1PRKCACCNB1CLK1 | |
| SCHEMBL5840144 | 0.86 | CDK1 (0.65) | CDK1NPC1CTSVCTSLCTSB | |
| SCHEMBL3379300 | 0.86 | YTHDC1 (0.60) | CDK1NPC1PRKCACCNA2CDK2 | |
| SCHEMBL5839410 | 0.84 | CDK1 (0.69) | CDK1NPC1PRKCACCNB1CLK1 | |
| SCHEMBL5840706 | 0.84 | CDK1 (0.69) | CDK1NPC1PRKCACTSVCTSL | |
| SCHEMBL244036 | 0.82 | SRC (0.55) | CDK1NPC1PRKCACTSVCTSL | |
| SCHEMBL6578399 | 0.82 | NPC1 (0.55) | CDK1NPC1PRKCACCNB1CLK1 | |
| SCHEMBL5839477 | 0.82 | CDK5 (0.72) | CDK1NPC1CCNB1CDK4EIF2AK2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7091346-B1 | Purine derivatives and processes for their preparation | NOVARTIS AG (CH) | 2006-08-15 | — | — | US | disclosed |
| EP-0874846-B1 | PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION | NOVARTIS AG (CH) | 2003-04-02 | — | — | EP | disclosed |
| CN-1066147-C | Purine derivatives and process for preparing same | 诺瓦提斯公司 | 2001-05-23 | — | — | CN | disclosed |
| CN-1202896-A | Purine derivatives and processes for their preparation | 诺瓦提斯公司 | 1998-12-23 | — | — | CN | disclosed |
| EP-0874846-A1 | PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION | Novartis AG (CH) | 1998-11-04 | — | — | EP | disclosed |
| WO-1997016452-A1 | PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION | NOVARTIS AG (CH) | 1997-05-09 | — | — | WO | disclosed |