Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | ADAMTS4 | O75173 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | PRNP | P04156 | 1/20 | 0.44 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.42 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 4/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7337373 | 1.00 | CYP1A2 (0.48) | CYP1A2ADAMTS4CA2ALDH1A1KDM4E | |
| SCHEMBL27372584 | 0.91 | CYP1A2 (0.44) | CYP1A2ADAMTS4CA2ALDH1A1KDM4E | |
| SCHEMBL7305142 | 0.91 | CYP1A2 (0.44) | CYP1A2ADAMTS4CA2ALDH1A1KDM4E | |
| SCHEMBL7388688 | 0.89 | CYP1A2 (0.43) | CYP1A2ADAMTS4CA2ALDH1A1KDM4E | |
| SCHEMBL27375082 | 0.84 | HDAC1 (0.46) | CYP1A2ALDH1A1KDM4EPRNPMAPK10 | |
| SCHEMBL7300357 | 0.84 | HDAC1 (0.46) | CYP1A2ALDH1A1KDM4EPRNPMAPK10 | |
| SCHEMBL7298672 | 0.83 | CYP1A2 (0.43) | CYP1A2ALDH1A1KDM4EPRNPMAPK10 | |
| SCHEMBL7300431 | 0.81 | MME (0.44) | CYP1A2ALDH1A1HDAC1HDAC2AGTR2 | |
| SCHEMBL7329343 | 0.81 | CYP1A2 (0.41) | CYP1A2ADAMTS4ALDH1A1KDM4EPRNP | |
| SCHEMBL7329018 | 0.80 | CA2 (0.47) | CYP1A2CA2ALDH1A1NPSR1GAA |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |