Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK5 | Q00535 | 4/20 | 0.38 |
| ▸ | CDK5R1 | Q15078 | 4/20 | 0.38 |
| ▸ | CDK1 | P06493 | 4/20 | 0.37 |
| ▸ | CDK2 | P24941 | 3/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.35 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.35 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10405790 | 0.87 | ACHE (0.42) | CDK5CDK5R1CDK1CDK2 | |
| SCHEMBL9584563 | 0.83 | HDAC6 (0.41) | CDK1CDK2HDAC1HDAC2MAPK1 | |
| SCHEMBL9583064 | 0.77 | CDK5 (0.38) | CDK5CDK5R1CDK2CCNE1 | |
| SCHEMBL10404905 | 0.75 | HDAC1 (0.42) | CDK1HDAC1HDAC2 | |
| SCHEMBL10364403 | 0.75 | ACHE (0.38) | CDK5CDK5R1 | |
| SCHEMBL9583170 | 0.74 | CDK1 (0.47) | CDK1CDK2HDAC1HDAC2KDM4E | |
| SCHEMBL9584007 | 0.72 | HDAC1 (0.36) | CDK5CDK5R1CDK1CDK2HDAC1 | |
| SCHEMBL10481420 | 0.72 | KMT2A (0.59) | KDM4E | |
| SCHEMBL9583624 | 0.69 | CYP1A2 (0.40) | CDK1CCNB1CCNB2CCNB3 | |
| SCHEMBL9583411 | 0.68 | YTHDC1 (0.46) | CDK5CDK5R1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4897479-A | VIRICIDES FOR HERPES SIMPLEX | MERCK & CO., INC. (US) | 1990-01-30 | — | — | US | disclosed |
| EP-0138683-A2 | Purine derivatives, their application in anti-viral compositions | MERCK & CO. INC. (US) | 1985-04-24 | — | — | EP | disclosed |