Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 10/20 | 0.68 |
| ▸ | CDK2 | P24941 | 9/20 | 0.55 |
| ▸ | CCNA2 | P20248 | 8/20 | 0.55 |
| ▸ | CCNA1 | P78396 | 8/20 | 0.55 |
| ▸ | PAK4 | O96013 | 2/20 | 0.52 |
| ▸ | CDK1 | P06493 | 1/20 | 0.52 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.52 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.52 |
| ▸ | GSK3B | P49841 | 1/20 | 0.52 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.52 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL28738725 | 0.88 | CDK2 (0.60) | NTRK1CDK2CCNA2CCNA1PAK4 | |
| SCHEMBL17872164 | 0.87 | NTRK1 (0.60) | NTRK1CDK2CCNA2CCNA1PAK4 | |
| SCHEMBL17872123 | 0.84 | NTRK1 (0.53) | NTRK1CDK2CCNA2CCNA1PAK4 | |
| SCHEMBL28840124 | 0.81 | NTRK1 (1.00) | NTRK1 | |
| SCHEMBL18871700 | 0.79 | NTRK1 (0.64) | NTRK1CDK2CCNA2CCNA1PAK4 | |
| SCHEMBL25947656 | 0.76 | CDK2 (0.59) | NTRK1CDK2CCNA2CCNA1PAK4 | |
| SCHEMBL1983891 | 0.75 | CDK2 (0.55) | NTRK1CDK2CCNA2CCNA1PAK4 | |
| SCHEMBL3485465 | 0.74 | CCNA2 (0.53) | NTRK1CDK2CCNA2CCNA1CDK1 | |
| SCHEMBL2917739 | 0.74 | NTRK1 (0.69) | NTRK1CDK2CCNA2CCNA1PAK4 | |
| SCHEMBL3485215 | 0.74 | CDK2 (0.64) | NTRK1CDK2CCNA2CCNA1PAK4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3236959-A2 | INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) | Dana Farber Cancer Institute, Inc. (US) | 2017-11-01 | — | — | EP | disclosed |
| WO-2016105528-A2 | INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2016-06-30 | — | — | WO | disclosed |