Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 12/20 | 0.79 |
| ▸ | CCND1 | P24385 | 12/20 | 0.79 |
| ▸ | CCNE2 | O96020 | 6/20 | 0.79 |
| ▸ | CCNE1 | P24864 | 6/20 | 0.79 |
| ▸ | CDK2 | P24941 | 6/20 | 0.79 |
| ▸ | PRKD3 | O94806 | 5/20 | 0.78 |
| ▸ | PRKCG | P05129 | 5/20 | 0.78 |
| ▸ | PRKCB | P05771 | 5/20 | 0.78 |
| ▸ | PRKCA | P17252 | 5/20 | 0.78 |
| ▸ | PRKCH | P24723 | 5/20 | 0.78 |
| ▸ | PRKCI | P41743 | 5/20 | 0.78 |
| ▸ | PRKCE | Q02156 | 5/20 | 0.78 |
| ▸ | PRKCQ | Q04759 | 5/20 | 0.78 |
| ▸ | PRKCZ | Q05513 | 5/20 | 0.78 |
| ▸ | PRKCD | Q05655 | 5/20 | 0.78 |
| ▸ | PRKD1 | Q15139 | 5/20 | 0.78 |
| ▸ | PRKACA | P17612 | 4/20 | 0.70 |
| ▸ | PRKACG | P22612 | 4/20 | 0.70 |
| ▸ | PRKACB | P22694 | 4/20 | 0.70 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL8316417 | 0.88 | PRKD3 (1.00) | CDK4CCND1CCNE2CCNE1CDK2 | |
| SCHEMBL8113741 | 0.87 | CDK4 (0.70) | CDK4CCND1CCNE2CCNE1CDK2 | |
| SCHEMBL20624144 | 0.85 | PRKD3 (0.78) | CDK4CCND1CCNE2CCNE1CDK2 | |
| SCHEMBL8120443 | 0.84 | CDK4 (0.74) | CDK4CCND1CCNE2CCNE1CDK2 | |
| SCHEMBL9055443 | 0.84 | CDK4 (0.80) | CDK4CCND1CCNE2CCNE1CDK2 | |
| SCHEMBL20623426 | 0.81 | PRKCG (0.72) | CDK4CCND1CCNE2CCNE1CDK2 | |
| SCHEMBL8463787 | 0.81 | CDK4 (1.00) | CDK4CCND1CCNE2CCNE1CDK2 | |
| SCHEMBL8121576 | 0.81 | CDK4 (1.00) | CDK4CCND1CCNE2CCNE1CDK2 | |
| SCHEMBL22401384 | 0.80 | PRKCQ (0.70) | CDK4CCND1CCNE2CCNE1CDK2 | |
| SCHEMBL8124648 | 0.79 | PRKD3 (0.68) | CDK4CCND1CCNE2CCNE1CDK2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7826979-B2 | Method of modeling complex formation between a query ligan and a target molecule | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-11-02 | — | — | US | disclosed |