Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.54 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.54 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.54 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.54 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.54 |
| ▸ | HTR2A | P28223 | 1/20 | 0.54 |
| ▸ | HTR2C | P28335 | 1/20 | 0.54 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.54 |
| ▸ | HRH1 | P35367 | 1/20 | 0.54 |
| ▸ | DRD3 | P35462 | 1/20 | 0.54 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | SLC1A2 | P43004 | 3/20 | 0.43 |
| ▸ | SLC1A1 | P43005 | 3/20 | 0.43 |
| ▸ | GRIK1 | P39086 | 3/20 | 0.43 |
| ▸ | GRIK2 | Q13002 | 3/20 | 0.43 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL16798232 | 1.00 | HDAC1 (0.54) | HDAC1HDAC2CHRM1AKR1A1CHRM3 | |
| SCHEMBL7051239 | 1.00 | HDAC1 (0.54) | HDAC1HDAC2CHRM1AKR1A1CHRM3 | |
| SCHEMBL1915651 | 0.91 | CA2 (0.55) | HDAC1HDAC2CHRM1AKR1A1CHRM3 | |
| SCHEMBL1915653 | 0.91 | CA2 (0.55) | HDAC1HDAC2CHRM1AKR1A1CHRM3 | |
| SCHEMBL6161042 | 0.89 | GRIK1 (0.49) | HDAC1HDAC2CHRM1AKR1A1CHRM3 | |
| SCHEMBL6161064 | 0.89 | GRIK1 (0.49) | HDAC1HDAC2CHRM1AKR1A1CHRM3 | |
| SCHEMBL8217023 | 0.88 | GRIK1 (0.50) | MEN1GAAKMT2ASLC1A2SLC1A1 | |
| SCHEMBL6808467 | 0.88 | GRIK1 (0.50) | MEN1GAAKMT2ASLC1A2SLC1A1 | |
| SCHEMBL7069281 | 0.88 | GRIK1 (0.50) | MEN1GAAKMT2ASLC1A2SLC1A1 | |
| SCHEMBL7075183 | 0.88 | GRIK1 (0.50) | MEN1GAAKMT2ASLC1A2SLC1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0839798-B1 | Intermediates for preparating non-peptide retroviral protease inhibitors | ABBOTT LAB (US) | 2005-08-17 | — | — | EP | disclosed |
| EP-0839798-A2 | Intermediates for preparating non-peptide retroviral protease inhibitors | ABBOTT LABORATORIES (US) | 1998-05-06 | — | — | EP | disclosed |
| US-5670675-A | Retroviral protease inhibiting compounds | ABBOTT LABORATORIES (US) | 1997-09-23 | — | — | US | disclosed |
| US-5545750-A | TREATING HUMAN IMMUNODEFICIENCY VIRUS | ABBOTT LABORATORIES (US) | 1996-08-13 | — | — | US | disclosed |
| US-5142056-A | Human immunodeficiency virus protease inhibitor | ABBOTT LABORATORIES (US) | 1992-08-25 | — | — | US | disclosed |
| EP-0402646-A1 | Retroviral protease inhibiting compounds | ABBOTT LABORATORIES (US) | 1990-12-19 | — | — | EP | disclosed |