Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNB2 | O95067 | 2/20 | 0.48 |
| ▸ | CDK1 | P06493 | 2/20 | 0.48 |
| ▸ | CDK4 | P11802 | 2/20 | 0.48 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.48 |
| ▸ | CCND1 | P24385 | 2/20 | 0.48 |
| ▸ | CCNB3 | Q8WWL7 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 3/20 | 0.39 |
| ▸ | MAOB | P27338 | 3/20 | 0.39 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | NSD2 | O96028 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.36 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20226976 | 0.89 | POLB (0.43) | CCNB2CDK1CDK4CCNB1CCND1 | |
| SCHEMBL20226974 | 0.78 | RHEB (0.43) | LMNAPOLBGAAMAOAMAOB | |
| SCHEMBL20227005 | 0.76 | POLB (0.42) | LMNAPOLBGAAMAOAMAOB | |
| SCHEMBL7089735 | 0.70 | CCNB2 (0.63) | CCNB2CDK1CDK4CCNB1CCND1 | |
| SCHEMBL20226995 | 0.68 | POLB (0.47) | LMNAPOLBGAAMAOAMAOB | |
| SCHEMBL6584338 | 0.67 | CCNB2 (0.57) | CCNB2CDK1CDK4CCNB1CCND1 | |
| SCHEMBL6584344 | 0.67 | CCNB2 (0.57) | CCNB2CDK1CDK4CCNB1CCND1 | |
| SCHEMBL9785325 | 0.66 | L3MBTL1 (0.43) | CCNB2CDK1CDK4CCNB1CCND1 | |
| SCHEMBL7085741 | 0.66 | CDK4 (0.70) | CCNB2CDK1CDK4CCNB1CCND1 | |
| SCHEMBL3906735 | 0.65 | CDK4 (1.00) | CCNB2CDK1CDK4CCNB1CCND1 |
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-2018102634-A1 | TRICYCLIC HETEROCYCLE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2018-06-07 | — | — | WO | disclosed |