Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 3/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.37 |
| ▸ | HRH1 | P35367 | 2/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3763909 | 0.99 | CCR5 (0.38) | CCR5HTR2AHRH1ADRB2ADRB1 | |
| SCHEMBL1779031 | 0.83 | KCNH2 (0.42) | CCR5HTR2AHRH1LMNASOS1 | |
| SCHEMBL1779062 | 0.82 | KCNH2 (0.41) | CCR5HTR2AHRH1SOS1KCNH2 | |
| SCHEMBL11585415 | 0.74 | HTR2A (0.55) | HTR2AHRH1ADRB2ADRB1ALDH1A1 | |
| SCHEMBL18107005 | 0.73 | AOC3 (0.42) | ALDH1A1LMNAGAAL3MBTL1HPGD | |
| SCHEMBL2437635 | 0.69 | KMT2A (0.49) | CCR5HTR2AHRH1ALDH1A1LMNA | |
| SCHEMBL12342272 | 0.65 | SLC6A2 (0.34) | ALDH1A1LMNAHPGD | |
| SCHEMBL1779066 | 0.65 | TAAR1 (0.38) | KCNH2CYP3A4CYP2C19RAB9AMEN1 | |
| SCHEMBL6978832 | 0.63 | SLC6A2 (0.62) | SOS1 | |
| SCHEMBL2433881 | 0.63 | SOS1 (0.51) | CCR5HTR2AHRH1ALDH1A1SOS1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1513825-B1 | ANTI TUBERCULAR DRUG: COMPOSITIONS AND METHODS | Dept of Health and Human Services (US) | 2016-10-05 | — | — | EP | disclosed |
| US-6951961-B2 | Methods of use and compositions for the diagnosis and treatment of infectious disease | GOVERNMENT OF THE UNITED STATES OF AMERICA REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES | 2005-10-04 | — | — | US | disclosed |