Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK7 | P50613 | 9/20 | 0.58 |
| ▸ | CCNH | P51946 | 9/20 | 0.58 |
| ▸ | MNAT1 | P51948 | 9/20 | 0.58 |
| ▸ | CDK2 | P24941 | 3/20 | 0.58 |
| ▸ | MELK | Q14680 | 3/20 | 0.58 |
| ▸ | HIPK4 | Q8NE63 | 1/20 | 0.58 |
| ▸ | PAK4 | O96013 | 11/20 | 0.51 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.48 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.48 |
| ▸ | CDK9 | P50750 | 1/20 | 0.48 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | RPS6KA1 | Q15418 | 2/20 | 0.43 |
| ▸ | PLK4 | O00444 | 1/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | GAK | O14976 | 1/20 | 0.41 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.41 |
| ▸ | RPS6KA4 | O75676 | 1/20 | 0.41 |
| ▸ | STK16 | O75716 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL20741127 | 1.00 | CDK7 (0.58) | CDK7CCNHMNAT1CDK2MELK | |
| SCHEMBL20741131 | 1.00 | CDK7 (0.58) | CDK7CCNHMNAT1CDK2MELK | |
| SCHEMBL31220806 | 0.93 | CDK7 (0.56) | CDK7CCNHMNAT1CDK2MELK | |
| SCHEMBL17872160 | 0.92 | CDK7 (0.50) | CDK7CCNHMNAT1CDK2MELK | |
| SCHEMBL20741173 | 0.92 | CDK7 (0.61) | CDK7CCNHMNAT1CDK2MELK | |
| SCHEMBL17872104 | 0.92 | CDK7 (0.61) | CDK7CCNHMNAT1CDK2MELK | |
| SCHEMBL20741164 | 0.88 | CDK7 (0.76) | CDK7CCNHMNAT1CDK2MELK | |
| SCHEMBL17872117 | 0.88 | CDK7 (0.76) | CDK7CCNHMNAT1CDK2MELK | |
| SCHEMBL23260155 | 0.86 | CDK7 (0.78) | CDK7CCNHMNAT1CDK2MELK | |
| SCHEMBL31220748 | 0.85 | CDK7 (0.58) | CDK7CCNHMNAT1CDK2MELK |
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 |