Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDC7 | O00311 | 4/20 | 0.60 |
| ▸ | DBF4 | Q9UBU7 | 4/20 | 0.60 |
| ▸ | AKT2 | P31751 | 2/20 | 0.50 |
| ▸ | PRKACA | P17612 | 1/20 | 0.50 |
| ▸ | PRKACG | P22612 | 1/20 | 0.50 |
| ▸ | PRKACB | P22694 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 6/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | CDK2 | P24941 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CDK1 | P06493 | 2/20 | 0.44 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.44 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.44 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | MGMT | P16455 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL528456 | 0.90 | CDC7 (0.50) | CDC7DBF4AKT2PRKACAPRKACG | |
| SCHEMBL1404475 | 0.76 | CDC7 (1.00) | CDC7DBF4LMNACYP1A2TSHR | |
| SCHEMBL2938157 | 0.75 | CDC7 (0.59) | CDC7DBF4LMNACYP1A2TSHR | |
| Phosphoric Acid SCHEMBL8420668 | 0.73 | BRD4 (0.58) | AKT2PRKACAPRKACGPRKACBLMNA | |
| SCHEMBL669596 | 0.73 | CDC7 (0.39) | CDC7DBF4AKT2LMNATSHR | |
| SCHEMBL4397297 | 0.73 | PDPK1 (0.55) | CDC7DBF4PRKACALMNATSHR | |
| SCHEMBL22532110 | 0.73 | ALPI (0.54) | CYP1A2ALPIPKMPTGS1XIAP | |
| SCHEMBL2938609 | 0.72 | PDPK1 (0.62) | CDC7DBF4PRKACALMNACYP1A2 | |
| SCHEMBL8187698 | 0.72 | PDPK1 (0.53) | CDC7DBF4PRKACALMNATSHR | |
| SCHEMBL8835936 | 0.70 | SLC7A5 (0.68) | CYP1A2ALPIPKMPTGS1XIAP |
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-2009126293-A2 | POTENT CHIMERIC NRTI-NNRTI BIFUNCTIONAL INHIBITORS OF HIV-1 REVERSE TRANSCRIPTASE | YALE UNIVERSITY (US) | 2009-10-15 | — | — | WO | disclosed |