Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.83 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.49 |
| ▸ | REN | P00797 | 3/20 | 0.48 |
| ▸ | BACE1 | P56817 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | PSEN1 | P49768 | 4/20 | 0.48 |
| ▸ | PSEN2 | P49810 | 4/20 | 0.48 |
| ▸ | APH1B | Q8WW43 | 4/20 | 0.48 |
| ▸ | NCSTN | Q92542 | 4/20 | 0.48 |
| ▸ | APH1A | Q96BI3 | 4/20 | 0.48 |
| ▸ | PSENEN | Q9NZ42 | 4/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7331805 | 1.00 | CA2 (0.83) | CA2KLK5RENBACE1CYP1A2 | |
| SCHEMBL7332653 | 1.00 | CA2 (0.83) | CA2KLK5RENBACE1CYP1A2 | |
| A-77003 SCHEMBL2770013 | 0.91 | CA2 (1.00) | CA2BACE1CYP1A2CYP3A4CYP2D6 | |
| A-77003 SCHEMBL6448973 | 0.91 | CA2 (1.00) | CA2BACE1CYP1A2CYP3A4CYP2D6 | |
| A-76928 SCHEMBL6449595 | 0.91 | CA2 (1.00) | CA2BACE1CYP1A2CYP3A4CYP2D6 | |
| A-77003 SCHEMBL7337518 | 0.91 | CA2 (1.00) | CA2BACE1CYP1A2CYP3A4CYP2D6 | |
| A-77003 SCHEMBL8749867 | 0.91 | CA2 (1.00) | CA2BACE1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7332468 | 0.90 | CA2 (0.83) | CA2KLK5BACE1CYP3A4CYP2D6 | |
| SCHEMBL7306151 | 0.90 | CA2 (0.83) | CA2BACE1CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL7343854 | 0.89 | CA2 (0.71) | CA2RENCYP1A2CYP3A4CYP2D6 |
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 8 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-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 |