Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | BACE1 | P56817 | 14/20 | 0.49 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CTSD | P07339 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7332493 | 1.00 | CA2 (0.51) | CA2BACE1ADAM17ALDH1A1CYP3A4 | |
| SCHEMBL7341693 | 0.89 | CA2 (0.55) | CA2BACE1ADAM17 | |
| SCHEMBL7332837 | 0.86 | CA2 (0.64) | CA2BACE1ALDH1A1CTSD | |
| SCHEMBL7333019 | 0.86 | CA2 (0.64) | CA2BACE1ALDH1A1CTSD | |
| SCHEMBL7339716 | 0.86 | CA2 (0.64) | CA2BACE1ALDH1A1CTSD | |
| SCHEMBL7358203 | 0.79 | CTSD (0.39) | CA2ADAM17CTSD | |
| SCHEMBL7335195 | 0.79 | MMP13 (0.52) | ADAM17ALDH1A1 | |
| SCHEMBL7335191 | 0.79 | MMP13 (0.52) | ADAM17ALDH1A1 | |
| SCHEMBL7336565 | 0.78 | ADAM17 (0.46) | CA2ADAM17ALDH1A1CYP3A4 | |
| SCHEMBL6448985 | 0.77 | CTSD (0.68) | CA2BACE1CTSD |
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 |