Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | FKBP1A | P62942 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.42 |
| ▸ | THPO | P40225 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6286208 | 0.85 | HTT (0.42) | HTR2CFKBP1AHTTNPC1RAB9A | |
| SCHEMBL6278076 | 0.85 | HTR2C (0.41) | HTR2CFKBP1AHTTNPC1RAB9A | |
| SCHEMBL9546482 | 0.83 | SMN1; SMN2 (0.52) | HTR2CNPC1RAB9ASMN1; SMN2AGTR2 | |
| SCHEMBL9546475 | 0.83 | SMN1; SMN2 (0.52) | HTR2CNPC1RAB9ASMN1; SMN2AGTR2 | |
| SCHEMBL7376563 | 0.83 | HTR2C (0.47) | HTR2CFKBP1AHTTNPC1RAB9A | |
| SCHEMBL9546620 | 0.82 | HTR2C (0.57) | HTR2CNPC1RAB9ASMN1; SMN2AGTR2 | |
| SCHEMBL18410564 | 0.82 | HTR2C (0.57) | HTR2CNPC1RAB9ASMN1; SMN2AGTR2 | |
| SCHEMBL13958801 | 0.78 | NPSR1 (0.66) | RAB9ANPSR1TSHRKDM4ELMNA | |
| SCHEMBL28411856 | 0.76 | HTR2C (0.47) | HTR2CHTTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL28414267 | 0.76 | HTR2C (0.52) | HTR2CHTTNPC1RAB9ASMN1; SMN2 |
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 |