Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | BLM | P54132 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | PPM1B | O75688 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6285175 | 1.00 | CHRM2 (0.42) | CHRM2CHRM4CHRM3CHRNB2CHRNA4 | |
| SCHEMBL6513544 | 1.00 | CHRM2 (0.42) | CHRM2CHRM4CHRM3CHRNB2CHRNA4 | |
| Hydrochloric Acid SCHEMBL7738558 | 0.97 | CHRM2 (0.41) | CHRM2CHRM4CHRM3CHRNB2CHRNA4 | |
| Hydrochloric Acid SCHEMBL7738552 | 0.97 | CHRM2 (0.41) | CHRM2CHRM4CHRM3CHRNB2CHRNA4 | |
| SCHEMBL23054117 | 0.91 | CYP2D6 (0.48) | CHRM2CHRM4CHRM3CHRNB2CHRNA4 | |
| SCHEMBL70308 | 0.90 | CHRM2 (0.48) | CHRM2CHRM4CHRM3CHRNB2CHRNA4 | |
| SCHEMBL4245452 | 0.90 | CHRM2 (0.48) | CHRM2CHRM4CHRM3CHRNB2CHRNA4 | |
| Hydrochloric Acid SCHEMBL7738556 | 0.89 | CYP2D6 (0.46) | CHRM2CHRM4CHRM3CHRNB2CHRNA4 | |
| SCHEMBL7245063 | 0.86 | CHRNB2 (0.46) | CHRM2CHRM4CHRM3CHRNB2CHRNA4 | |
| SCHEMBL7245061 | 0.86 | CHRNB2 (0.46) | CHRM2CHRM4CHRM3CHRNB2CHRNA4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6900238-B1 | HIV protease inhibitors | THE SCRIPPS RESEARCH INSTITUTE (US) | 2005-05-31 | — | — | US | disclosed |
| EP-0873519-A4 | HIV PROTEASE INHIBITORS | SCRIPPS RESEARCH INST (US) | 2005-04-27 | — | — | EP | disclosed |
| EP-0873519-A1 | HIV PROTEASE INHIBITORS | The Scripps Research Institute (US) | 1998-10-28 | — | — | EP | disclosed |
| WO-1997021100-A9 | HIV PROTEASE INHIBITORS | — | 1997-10-30 | — | — | WO | disclosed |
| WO-1997021100-A1 | HIV PROTEASE INHIBITORS | THE SCRIPPS RESEARCH INSTITUTE (US) | 1997-06-12 | — | — | WO | disclosed |