Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.49 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.49 |
| ▸ | CDK4 | P11802 | 12/20 | 0.48 |
| ▸ | CDK1 | P06493 | 11/20 | 0.48 |
| ▸ | CCND1 | P24385 | 10/20 | 0.48 |
| ▸ | CDK9 | P50750 | 9/20 | 0.48 |
| ▸ | CDK2 | P24941 | 8/20 | 0.48 |
| ▸ | CCNB1 | P14635 | 8/20 | 0.48 |
| ▸ | CCNT1 | O60563 | 7/20 | 0.48 |
| ▸ | CCNB2 | O95067 | 6/20 | 0.48 |
| ▸ | CCNB3 | Q8WWL7 | 6/20 | 0.48 |
| ▸ | CCNA2 | P20248 | 5/20 | 0.48 |
| ▸ | CCNE1 | P24864 | 4/20 | 0.48 |
| ▸ | GSK3A | P49840 | 4/20 | 0.48 |
| ▸ | CCND3 | P30281 | 3/20 | 0.48 |
| ▸ | CDK6 | Q00534 | 3/20 | 0.48 |
| ▸ | CDK7 | P50613 | 3/20 | 0.48 |
| ▸ | CCNH | P51946 | 2/20 | 0.48 |
| ▸ | MNAT1 | P51948 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL16722415 | 0.84 | CDK4 (0.64) | CDK4CDK1CCND1CDK9CDK2 | |
| SCHEMBL291158 | 0.84 | CDK4 (0.64) | CDK4CDK1CCND1CDK9CDK2 | |
| Hydrochloric Acid SCHEMBL6120022 | 0.83 | CDK4 (0.62) | CDK4CDK1CCND1CDK9CDK2 | |
| Hydrochloric Acid SCHEMBL17294474 | 0.83 | CDK4 (0.62) | CDK4CDK1CCND1CDK9CDK2 | |
| SCHEMBL1180448 | 0.82 | CDK4 (0.53) | CYP1A1CYP1A2CYP1B1CDK4CDK1 | |
| SCHEMBL1180446 | 0.82 | CDK4 (0.53) | CYP1A1CYP1A2CYP1B1CDK4CDK1 | |
| SCHEMBL14694316 | 0.82 | CYP1A1 (0.42) | CYP1A1CYP1A2CYP1B1CDK4CDK1 | |
| SCHEMBL291053 | 0.79 | CDK4 (0.75) | CYP1A1CYP1A2CYP1B1CDK4CDK1 | |
| SCHEMBL291051 | 0.79 | CDK4 (0.75) | CYP1A1CYP1A2CYP1B1CDK4CDK1 | |
| SCHEMBL6524830 | 0.79 | CDK4 (0.75) | CYP1A1CYP1A2CYP1B1CDK4CDK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012069972-A1 | A PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF BREAST CANCER | PIRAMAL LIFE SCIENCES LIMITED (IN) | 2012-05-31 | — | — | WO | disclosed |