Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 3/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 3/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | RHEB | Q15382 | 1/20 | 0.32 |
| ▸ | XIAP | P98170 | 1/20 | 0.32 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5560668 | 0.80 | MAPT (0.37) | MPOHTTHRH3KMT2AXIAP | |
| SCHEMBL5561831 | 0.80 | NPBWR1 (0.35) | HRH3HTR2ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL5560864 | 0.78 | CYP1A2 (0.31) | MPOPOLBCYP1A2CYP2C19MAPT | |
| SCHEMBL5555674 | 0.71 | EPAS1 (0.41) | HRH3 | |
| SCHEMBL5560726 | 0.71 | CYP1A2 (0.41) | HRH3HTR2ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL14471432 | 0.69 | RHEB (0.37) | HTTNPSR1KMT2ASLC6A2SLC6A4 | |
| SCHEMBL5562173 | 0.69 | EPAS1 (0.34) | MPOPOLBCYP1A2CYP2C19 | |
| SCHEMBL5555486 | 0.68 | CYP1A2 (0.33) | POLBCYP1A2CYP2C19 | |
| SCHEMBL5561648 | 0.67 | EPAS1 (0.32) | POLBCYP1A2CYP2C19 | |
| SCHEMBL5560810 | 0.67 | EPAS1 (0.36) | POLBCYP1A2CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1597235-B1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2007-08-15 | — | — | EP | disclosed |
| US-7241794-B2 | Nonnucleoside reverse transcriptase inhibitors | ROCHEPALO ALTO LLC (US) | 2007-07-10 | — | — | US | disclosed |
| US-7241794-B2 | Nonnucleoside reverse transcriptase inhibitors | ROCHEPALO ALTO LLC (US) | 2007-07-10 | — | — | US | disclosed |