Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | PDE4A | P27815 | 2/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MPI | P34949 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14559652 | 0.91 | CYP3A4 (0.51) | CYP3A4SMN1; SMN2PDE4APDE4BPDE4C | |
| SCHEMBL5365424 | 0.88 | CYP3A4 (0.48) | CYP3A4SMN1; SMN2PDE4APDE4BPDE4C | |
| SCHEMBL5365171 | 0.87 | CYP3A4 (0.49) | CYP3A4SMN1; SMN2LMNAHTR2ASLC6A4 | |
| SCHEMBL5373613 | 0.87 | CYP3A4 (0.51) | CYP3A4LMNAHTR2ASLC6A4KCNH2 | |
| SCHEMBL5421210 | 0.86 | CYP3A4 (0.48) | CYP3A4LMNAHTR2ASLC6A4KCNH2 | |
| SCHEMBL5382226 | 0.86 | CACNA1G (0.44) | CYP3A4SMN1; SMN2PDE4APDE4BPDE4C | |
| SCHEMBL5377568 | 0.82 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19HTR2ASLC6A4 | |
| SCHEMBL5377730 | 0.81 | CYP3A4 (0.45) | CYP3A4SMN1; SMN2ALDH1A1MAPTLMNA | |
| SCHEMBL5370543 | 0.79 | CYP3A4 (0.46) | CYP3A4SMN1; SMN2PDE4APDE4BPDE4C | |
| SCHEMBL5367047 | 0.79 | CYP3A4 (0.54) | CYP3A4ALDH1A1LMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7189718-B2 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC (US) | 2007-03-13 | — | — | US | disclosed |
| US-7189718-B2 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC (US) | 2007-03-13 | — | — | US | disclosed |
| US-7189718-B2 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC (US) | 2007-03-13 | — | — | US | disclosed |