Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 3/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NAMPT | P43490 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7307321 | 0.76 | NR1H2 (0.41) | NR1H2KDM1AADORA1HDAC1HDAC6 | |
| SCHEMBL21045970 | 0.72 | PLAT (0.36) | NR1H2KDM1ANAMPTMAPK1GPR119 | |
| SCHEMBL6956638 | 0.70 | NR1H2 (0.42) | NR1H2ESR2MEN1KMT2ANAMPT | |
| SCHEMBL28509243 | 0.70 | NR1H2 (0.39) | NR1H2KDM1AADORA1ESR2KMT2A | |
| SCHEMBL31218507 | 0.68 | CHRM2 (0.44) | NR1H2KDM1AHDAC1HDAC6ESR2 | |
| SCHEMBL29877296 | 0.68 | ESR2 (0.40) | NR1H2ESR2MEN1KMT2AMAPK1 | |
| SCHEMBL13712222 | 0.68 | MEN1 (0.39) | NR1H2MEN1KMT2ANAMPTMAPK1 | |
| SCHEMBL4947670 | 0.68 | ESR2 (0.44) | NR1H2ADORA1ESR2MEN1KMT2A | |
| SCHEMBL23107390 | 0.67 | HDAC1 (0.36) | NR1H2KDM1AADORA1HDAC1HDAC6 | |
| SCHEMBL2070705 | 0.67 | HDAC1 (0.38) | NR1H2KDM1AHDAC1HDAC6ESR2 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0486948-B1 | Retroviral protease inhibiting compounds | ABBOTT LAB (US) | 2000-10-04 | — | — | EP | disclosed |
| EP-0997459-A1 | Intermediates for preparing retroviral protease inhibiting compounds | Abbott Laboratories (US) | 2000-05-03 | — | — | EP | disclosed |
| US-5837873-A | PROTECTED OXYDIAMINES | ABBOTT LABORATORIES (US) | 1998-11-17 | — | — | US | disclosed |
| US-5648497-A | Retroviral protease inhibiting compounds | ABBOTT LABORAOTRIES (US) | 1997-07-15 | — | — | US | disclosed |
| US-5616714-A | PYRIDYL, THIAZOLYL-SUBSTITUTED AMINO ACID DERIVATIVES | ABBOTT LABORATORIES (US) | 1997-04-01 | — | — | US | disclosed |
| US-5597926-A | Retroviral protease inhibiting compounds | ABBOTT LABORATORIES (US) | 1997-01-28 | — | — | US | disclosed |
| US-5554783-A | (2R, 3R, 4S, 5S)-3-ACETOXY-2,5-BIS/BENZYLOXYCARBONYLAMINO/ -4-BROMO-1,5-DIPHENYLHEXANE | ABBOTT LABORATORIES (US) | 1996-09-10 | — | — | US | disclosed |
| US-5541334-A | TREATING HIV | ABBOTT LABORATORIES (US) | 1996-07-30 | — | — | US | disclosed |
| US-5354866-A | Treating HIV infections | ABBOTT LABORATORIES (US) | 1994-10-11 | — | — | US | disclosed |
| EP-0486948-A2 | Retroviral protease inhibiting compounds | ABBOTT LABORATORIES (US) | 1992-05-27 | — | — | EP | disclosed |