Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.78 |
| ▸ | CYP3A4 | P08684 | 16/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7306173 | 0.88 | CA2 (1.00) | CA2CYP3A4CYP2D6CYP2C9CYP1A2 | |
| SCHEMBL7308930 | 0.88 | CA2 (1.00) | CA2CYP3A4CYP2D6CYP2C9CYP1A2 | |
| SCHEMBL7301779 | 0.87 | CA2 (0.82) | CA2CYP3A4CYP2D6CYP2C9CYP1A2 | |
| A-77003 SCHEMBL7337518 | 0.87 | CA2 (1.00) | CA2CYP3A4CYP2D6CYP2C9CYP1A2 | |
| SCHEMBL7338533 | 0.87 | CA2 (0.75) | CA2CYP3A4CYP2D6CYP2C9CYP1A2 | |
| SCHEMBL7338521 | 0.87 | CA2 (0.75) | CA2CYP3A4CYP2D6CYP2C9CYP1A2 | |
| A-77003 SCHEMBL2770013 | 0.87 | CA2 (1.00) | CA2CYP3A4CYP2D6CYP2C9CYP1A2 | |
| A-77003 SCHEMBL6448973 | 0.87 | CA2 (1.00) | CA2CYP3A4CYP2D6CYP2C9CYP1A2 | |
| A-77003 SCHEMBL8749867 | 0.87 | CA2 (1.00) | CA2CYP3A4CYP2D6CYP2C9CYP1A2 | |
| A-76928 SCHEMBL6449595 | 0.87 | CA2 (1.00) | CA2CYP3A4CYP2D6CYP2C9CYP1A2 |
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 7 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-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 |
| EP-0486948-A2 | Retroviral protease inhibiting compounds | ABBOTT LABORATORIES (US) | 1992-05-27 | — | — | EP | disclosed |